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Diffstat (limited to 'contrib/chem/examples')
54 files changed, 2741 insertions, 0 deletions
diff --git a/contrib/chem/examples/122/README.txt b/contrib/chem/examples/122/README.txt new file mode 100644 index 0000000..6f3809b --- /dev/null +++ b/contrib/chem/examples/122/README.txt @@ -0,0 +1,57 @@ +This directory contains the examples for the 'chem' language written +in the book: + + Computing Science Technical Report No. 122 + CHEM - A Program for Typesetting Chemical Diagrams: User Manual + by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan + +The book is available in the internet at +<http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +Many of the examples had to be fixed. Unfortunately, the 'chem' akw +version does not run on many of these programs. But the Perl version +of 'chem' works on all examples. + +Most examples do not use the modern chemical display. They have C +atoms added, whereas the modern method omits all C atoms and their +directly appended H atoms. + +The examples are named and sorted by the chapter where they are found +in the book. For example, the file 'ch4c_colon.chem' means a 'chem' +example in chapter 4; according to 'c', it is the third example in +this chapter; the name 'colon' is used to describe the context of the +example. + +You can view the graphical display of the examples by calling + + @g@chem <file> | groff -p ... + + +####### License + +Copyright (C) 2006-2020 Free Software Foundation, Inc. +Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +This file is part of 'chem', which is part of 'groff'. + +'groff' is free software; you can redistribute it and/or modify it +under the terms of the GNU General Public License (GPL) version 2 as +published by the Free Software Foundation. + +'groff' is distributed in the hope that it will be useful, but WITHOUT +ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or +FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License +for more details. + +You should have received a copy of the GNU General Public License +along with this program. If not, see <http://www.gnu.org/licenses/>. + +The GPL2 license text is available in the internet at +<http://www.gnu.org/licenses/gpl-2.0.html>. + + +##### Editor settings + +Local Variables: +mode: text +End: diff --git a/contrib/chem/examples/122/ch2a_ethyl.chem b/contrib/chem/examples/122/ch2a_ethyl.chem new file mode 100644 index 0000000..089de73 --- /dev/null +++ b/contrib/chem/examples/122/ch2a_ethyl.chem @@ -0,0 +1,43 @@ +ch2a_ethyl.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + CH3 + bond + CH2 + bond + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/122/ch2b_benzene.chem b/contrib/chem/examples/122/ch2b_benzene.chem new file mode 100644 index 0000000..0af1c9f --- /dev/null +++ b/contrib/chem/examples/122/ch2b_benzene.chem @@ -0,0 +1,38 @@ +ch2b_benzene.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + benzene + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch2c_benzene_right.chem b/contrib/chem/examples/122/ch2c_benzene_right.chem new file mode 100644 index 0000000..d9f29b5 --- /dev/null +++ b/contrib/chem/examples/122/ch2c_benzene_right.chem @@ -0,0 +1,36 @@ +ch2c_benzene_right.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + benzene pointing right # a rotated benzene ring + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4a_stick.chem b/contrib/chem/examples/122/ch4a_stick.chem new file mode 100644 index 0000000..f4caef3 --- /dev/null +++ b/contrib/chem/examples/122/ch4a_stick.chem @@ -0,0 +1,45 @@ +ch4a_stick.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + bond right + bond 60 + bond 120 + bond 60 + bond 120 + bond down + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/122/ch4b_methyl_acetate.chem b/contrib/chem/examples/122/ch4b_methyl_acetate.chem new file mode 100644 index 0000000..31625a3 --- /dev/null +++ b/contrib/chem/examples/122/ch4b_methyl_acetate.chem @@ -0,0 +1,47 @@ +ch4b_methyl_acetate.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +CH3 # the 3 is automatically turned into a subscript +bond # the implicit direction is right + # implicit connection is to right side of CH3 +C +double bond 30 # by default, from the substituent C +O +bond 120 from C # must be "from C"; otherwise would leave from O +O +bond right +CH3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4c_colon.chem b/contrib/chem/examples/122/ch4c_colon.chem new file mode 100644 index 0000000..5e42f6b --- /dev/null +++ b/contrib/chem/examples/122/ch4c_colon.chem @@ -0,0 +1,42 @@ +ch4c_colon.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + CH3 + bond ; C + double bond 30 ; O + bond 120 from C ; O + bond right ; CH3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4d_HCl.H2O.chem b/contrib/chem/examples/122/ch4d_HCl.H2O.chem new file mode 100644 index 0000000..b6ac99d --- /dev/null +++ b/contrib/chem/examples/122/ch4d_HCl.H2O.chem @@ -0,0 +1,38 @@ +ch4d_HCl.H2O.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + HCl.H2O + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4e_CaSO4.2H2O.chem b/contrib/chem/examples/122/ch4e_CaSO4.2H2O.chem new file mode 100644 index 0000000..b2f8bc0 --- /dev/null +++ b/contrib/chem/examples/122/ch4e_CaSO4.2H2O.chem @@ -0,0 +1,38 @@ +ch4e_CaSO4.2H2O.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + CaSO4.2H2O + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4f_C.chem b/contrib/chem/examples/122/ch4f_C.chem new file mode 100644 index 0000000..d54461f --- /dev/null +++ b/contrib/chem/examples/122/ch4f_C.chem @@ -0,0 +1,48 @@ +ch4f_C.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + bond ; C # 1st definition of C + bond up from C + bond down from C + bond right from C ; C # 2nd definition of C + bond up from C + bond down from C + bond right from C ; C # 3rd definition of C + bond up from C + bond down from C + bond right from C + + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4g_BP.chem b/contrib/chem/examples/122/ch4g_BP.chem new file mode 100644 index 0000000..9c6af4b --- /dev/null +++ b/contrib/chem/examples/122/ch4g_BP.chem @@ -0,0 +1,48 @@ +ch4g_BP.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +# this is the isopropyl group + bond 120 ; BP # BP is right end of this bond + bond -120 from BP + bond right from BP ; C + front bond up ; CH3 + back bond down from C ; D + bond right from C ; BP +# redefine BP to mean the center carbon of this t-butyl group + bond up from BP + bond right from BP + bond down from BP + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4h_methacrylate.chem b/contrib/chem/examples/122/ch4h_methacrylate.chem new file mode 100644 index 0000000..8300d25 --- /dev/null +++ b/contrib/chem/examples/122/ch4h_methacrylate.chem @@ -0,0 +1,65 @@ +ch4h_methacrylate.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + bond dotted + bond right ; BP + bond up from BP ; C + double bond -60 from C ; O + bond 60 length .1 from C ; OCH3 + bond down from BP ; CH3 +# begin second segment of polymer + bond right length .5 from BP ; BP + bond up length .1 from BP ; H + bond down length .1 from BP ; H +# begin third segment of polymer + bond right length .5 from BP ; BP + bond up from BP ; C + double bond -60 from C ; O + bond 60 length .1 from C ; OCH3 + bond down from BP ; CH3 +# begin fourth segment of polymer + bond right length .5 from BP ; BP + bond up length .1 from BP ; H + bond down length .1 from BP ; H +# begin fifth segment of polymer + bond right length .5 from BP ; BP + bond up from BP ; C + double bond -60 from C ; O + bond 60 length .1 from C ; OCH3 + bond down from BP ; CH3 + bond right from BP + bond dotted + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4i_cyclo.chem b/contrib/chem/examples/122/ch4i_cyclo.chem new file mode 100644 index 0000000..866e6f7 --- /dev/null +++ b/contrib/chem/examples/122/ch4i_cyclo.chem @@ -0,0 +1,45 @@ +ch4i_cyclo.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R3: ring3 +R4: ring4 at R3 + (.75,0) +R5: ring5 at R4 + (.75,0) +R6: ring6 at R5 + (.75,0) +B: benzene at R6 + (.75,0) +R7: ring7 at B + (.75,0) +R8: ring8 at R7 + (.75,0) + + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4j_ring4.chem b/contrib/chem/examples/122/ch4j_ring4.chem new file mode 100644 index 0000000..9caf718 --- /dev/null +++ b/contrib/chem/examples/122/ch4j_ring4.chem @@ -0,0 +1,40 @@ +ch4j_ring4.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + ring4 pointing 45 + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/122/ch4k_ring3.chem b/contrib/chem/examples/122/ch4k_ring3.chem new file mode 100644 index 0000000..2a2d856 --- /dev/null +++ b/contrib/chem/examples/122/ch4k_ring3.chem @@ -0,0 +1,40 @@ +ch4k_ring3.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R: ring3 + back bond 120 from R.V2 ; C2H5 + front bond -120 from R.V3 ; HO + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4l_vertex.chem b/contrib/chem/examples/122/ch4l_vertex.chem new file mode 100644 index 0000000..d9fcb07 --- /dev/null +++ b/contrib/chem/examples/122/ch4l_vertex.chem @@ -0,0 +1,45 @@ +ch4l_vertex.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R: benzene pointing right + bond left from R.V4 ; HO + bond -150 from R.V3 ; CH3O + bond right from R.V1 ; C + double bond up from C ; O + bond right from C ; N + bond 45 ; C2H5 + bond 135 from N ; C2H5 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4m_double.chem b/contrib/chem/examples/122/ch4m_double.chem new file mode 100644 index 0000000..c5b1373 --- /dev/null +++ b/contrib/chem/examples/122/ch4m_double.chem @@ -0,0 +1,38 @@ +ch4m_double.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + ring double 1,2 3,4 5,6 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4n_triple.chem b/contrib/chem/examples/122/ch4n_triple.chem new file mode 100644 index 0000000..5766f85 --- /dev/null +++ b/contrib/chem/examples/122/ch4n_triple.chem @@ -0,0 +1,38 @@ +ch4n_triple.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + ring8 triple 3,4 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4o_aromatic.chem b/contrib/chem/examples/122/ch4o_aromatic.chem new file mode 100644 index 0000000..aa303c7 --- /dev/null +++ b/contrib/chem/examples/122/ch4o_aromatic.chem @@ -0,0 +1,37 @@ +ch4o_aromatic.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R: aromatic ring7 + "+" at R + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4p_cholestanol.chem b/contrib/chem/examples/122/ch4p_cholestanol.chem new file mode 100644 index 0000000..e292bea --- /dev/null +++ b/contrib/chem/examples/122/ch4p_cholestanol.chem @@ -0,0 +1,60 @@ +ch4p_cholestanol.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: ring6 + "R1" at R1 # this puts a label at R1 + front bond -120 from R1.V5 ; HO + # the following line says "fuse the next six- + # membered ring with its 6th vertex joining + # the second vertex of R1" +R2: ring6 with .V6 at R1.V2 + front bond up from R2.V6 ; CH3 + back bond down from R2.V4 ; H + back bond down from R2.V1 ; H + front bond up from R2.V2 ; H +R3: ring6 with .V4 at R2.V2 +R4: flatring with .V5 at R3.V2 + front bond up from R4.V5 ; CH3 + back bond down from R4.V4 ; H # this is the alkyl chain + bond up from R4.V1 ; BP + bond -60 from BP + bond 60 from BP + bond 120 + bond 60 + bond 120 ; BP + bond down from BP + bond 60 from BP + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4q_rings.chem b/contrib/chem/examples/122/ch4q_rings.chem new file mode 100644 index 0000000..bafdd92 --- /dev/null +++ b/contrib/chem/examples/122/ch4q_rings.chem @@ -0,0 +1,46 @@ +ch4q_rings.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R3: ring3 +R4: ring4 pointing 45 with .V1 at R3.V2 +R5: ring5 pointing down with .V4 at R4.V2 +R6: ring6 pointing 54 with .V6 at R5.V5 + # the following lines specify the labels inside the rings + "3" at R3 + "4" at R4 + "5" at R5 + "6" at R6 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4r_spiro.chem b/contrib/chem/examples/122/ch4r_spiro.chem new file mode 100644 index 0000000..24ec050 --- /dev/null +++ b/contrib/chem/examples/122/ch4r_spiro.chem @@ -0,0 +1,42 @@ +ch4r_spiro.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: ring6 +R2: ring6 with .V1 at R1.V4 +R3: ring5 with .V5 at R2.V3 + back bond 60 from R3.V2 ; OH + front bond 150 from R3.V3 ; OH + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4s_heteroatoms.chem b/contrib/chem/examples/122/ch4s_heteroatoms.chem new file mode 100644 index 0000000..7dc8ba7 --- /dev/null +++ b/contrib/chem/examples/122/ch4s_heteroatoms.chem @@ -0,0 +1,38 @@ +ch4s_heteroatoms.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + ring put N at 2 put S at 4 double 2,3 4,5 6,1 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4t_polycyclic.chem b/contrib/chem/examples/122/ch4t_polycyclic.chem new file mode 100644 index 0000000..fc6b580 --- /dev/null +++ b/contrib/chem/examples/122/ch4t_polycyclic.chem @@ -0,0 +1,49 @@ +ch4t_polycyclic.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: benzene pointing right + bond 30 from R1.V6 ; Br +R2: benzene pointing right with .V5 at R1.V1 +R3: benzene pointing right with .V1 at R2.V3 + bond 150 from R3.V2 ; CO2H +R4: benzene pointing right with .V1 at R1.V3 +# next line names bond B1 so we can refer to its end +B1: bond left from R4.V4 + ring6 put N at 4 double 2,3 4,5 6,1 with .V3 at B1.end +B2: bond right from R2.V1 +R5: benzene with .V5 at B2.end + ring6 put N at 4 double 1,2 3,4 with .V5 at R5.V3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4u_nicotine.chem b/contrib/chem/examples/122/ch4u_nicotine.chem new file mode 100644 index 0000000..d38a7c8 --- /dev/null +++ b/contrib/chem/examples/122/ch4u_nicotine.chem @@ -0,0 +1,42 @@ +ch4u_nicotine.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + benzene put N at 4 + bond right + ring5 pointing down put N at 1 + bond down from .N ; CH3 # or .V1 + + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4v_histidine.chem b/contrib/chem/examples/122/ch4v_histidine.chem new file mode 100644 index 0000000..33a4e9d --- /dev/null +++ b/contrib/chem/examples/122/ch4v_histidine.chem @@ -0,0 +1,44 @@ +ch4v_histidine.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: flatring pointing down put N at 2 put N at 5 double 1,2 3,4 + H right of R1.V5 + bond right from R1.V4 ; CH2 + bond right ; C + bond up from C ; H + bond down from C ; NH2 + bond right from C ; CO2H + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4w_lsd.chem b/contrib/chem/examples/122/ch4w_lsd.chem new file mode 100644 index 0000000..aa68b00 --- /dev/null +++ b/contrib/chem/examples/122/ch4w_lsd.chem @@ -0,0 +1,50 @@ +ch4w_lsd.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +B: benzene pointing right +F: flatring pointing left put N at 5 double 3,4 with .V1 at B.V2 + H below F.N +R: ring pointing right with .V4 at B.V6 + front bond right from R.V6 ; H +W: ring pointing right with .V2 at R.V6 put N at 1 double 3,4 + bond right from W.N ; CH3 + back bond -60 from W.V5 ; H + bond up from W.V5 ; C + double bond up from C ; O + bond right from C ; N + bond 45 from N ; C2H5 + bond 135 from N ; C2H5 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4x_anisole.chem b/contrib/chem/examples/122/ch4x_anisole.chem new file mode 100644 index 0000000..ec78417 --- /dev/null +++ b/contrib/chem/examples/122/ch4x_anisole.chem @@ -0,0 +1,42 @@ +ch4x_anisole.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: benzene + bond down from R1.V4 ; OCH3 +R2: benzene at R1 + (1.5,0) + bond down from R2.V4 ; O + CH3 right of O + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4y_reserpine.chem b/contrib/chem/examples/122/ch4y_reserpine.chem new file mode 100644 index 0000000..fb5d1ca --- /dev/null +++ b/contrib/chem/examples/122/ch4y_reserpine.chem @@ -0,0 +1,62 @@ +ch4y_reserpine.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. +# Some corrections were added. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + CH3O + bond 60 +R1: benzene +R2: aromatic flatring5 pointing down put N at 1 with .V3 at R1.V2 + H below R2.V1 +R3: ring put N at 3 with .V5 at R2.V5 +R4: ring put N at 1 with .V1 at R3.V3 + back bond -120 from R4.V4 ; H + back bond 60 from R4.V3 ; H +R5: ring with .V1 at R4.V3 + bond -120 ; C + double bond down from C ; O + CH3O left of C + back bond 60 from R5.V3 ; H + back bond down from R5.V4 ; O + CH3 right of O + bond 120 from R5.V3 ; O + bond right length .1 from O ; C + double bond down ; O + bond right length .1 from C +B: benzene pointing right + bond 30 from B.V6 ; OCH3 + bond right from B.V1 ; OCH3 + bond 150 from B.V2 ; OCH3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch4z1_eqn_glutamic.chem b/contrib/chem/examples/122/ch4z1_eqn_glutamic.chem new file mode 100644 index 0000000..6cecd7c --- /dev/null +++ b/contrib/chem/examples/122/ch4z1_eqn_glutamic.chem @@ -0,0 +1,78 @@ +ch4z1_eqn_glutamic.chem: +.br +.EQ +delim $$ +.EN +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. +# Some corrections were added. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +# a left bracket + bond right length .1 ; BP + bond up length .3 + bond right length .1 + bond down length .3 from BP + bond right length .1 +# this is the mainchain amide structure + bond right length .1 from BP ; NH + bond right ; CH +# label the CH with an alpha, intended for eqn. +# this line says "put the north edge of the alpha at the +# south edge of the CH" + "$alpha$" with .n at CH.s + bond right from CH ; C + double bond up from C ; O + bond right length .1 from C ; BP +# a right bracket + bond up length .3 + bond left length .1 + bond right length .1 from BP + bond down length .3 from BP ; BP + bond left length .1 +# label the degree of polymerization + "$n$" with .w at BP.se +# this is the sidechain + bond up from CH ; CH2 + "$beta$" with .e at CH2.w + bond up from CH2 ; CH2 + "$gamma$" with .e at CH2.w + bond up from CH2 ; C +# this is the benzyl ester part + double bond -60 from C ; O + bond 60 from C ; O + bond right ; CH2C6H5 + +# Local Variables: +# mode: Nroff +# End: +.cend +.EQ +delim off +.EN diff --git a/contrib/chem/examples/122/ch4z2_text.chem b/contrib/chem/examples/122/ch4z2_text.chem new file mode 100644 index 0000000..2000636 --- /dev/null +++ b/contrib/chem/examples/122/ch4z2_text.chem @@ -0,0 +1,53 @@ +ch4z2_text.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + bond 120 dotted + bond 120 length .3 ; BP + back bond -120 length .25 from BP ; H + front bond 120 length .25 from BP ; CH3 + bond 60 length .5 from BP ; BP + bond -60 length .25 from BP ; H +# note the pic move command to position the text + move left .35 ; "(ANTI)" + front bond 60 length .25 from BP ; H +# another positioning of text + move right .35 ; "(SYN)" + bond 120 length .4 from BP ; BP + back bond -120 length .25 from BP ; H + front bond 120 length .25 from BP ; CH3 + bond 60 length .5 from BP + bond 60 dotted + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch5a_size.chem b/contrib/chem/examples/122/ch5a_size.chem new file mode 100644 index 0000000..d4eb33f --- /dev/null +++ b/contrib/chem/examples/122/ch5a_size.chem @@ -0,0 +1,45 @@ +ch5a_size.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +.ps 14 +size 16 +R: ring6 put O at 1 put C at 2 put O at 3 put C at 4 put O at 5 put C at 6 + double bond 60 from R.V2 ; NH + double bond down from R.V4 ; NH + double bond -60 from R.V6 ; HN +size 10 # if you are doing more than one +.ps 10 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch6a_pic.chem b/contrib/chem/examples/122/ch6a_pic.chem new file mode 100644 index 0000000..ad6dea6 --- /dev/null +++ b/contrib/chem/examples/122/ch6a_pic.chem @@ -0,0 +1,43 @@ +ch6a_pic.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R: ring double 2,3 + line from R.V6 to R.C + line from R.C to R.V4 + X1: 1/2 <R.V5,R.C> + X2: 1/2 <R.C,R.V2> + bond from X1 to X2 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/ch6b_dna.chem b/contrib/chem/examples/122/ch6b_dna.chem new file mode 100644 index 0000000..00abbba --- /dev/null +++ b/contrib/chem/examples/122/ch6b_dna.chem @@ -0,0 +1,59 @@ +ch6b_dna.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +P: [ +R1: flatring pointing up put N at 1 put N at 4 double 5,1 + bond -135 from R1.V4 ; BP + "deoxyribose" rjust with .e at BP.w +R2: ring6 put N at 2 put N at 4 double 1,2 3,4 5,6 with .V6 at R1.V2 + pic Conn: R2.V2.ne #because naming is too restricted in pic + bond up from R2.V1 ; N + bond -60 from N ; H + bond 60 from N ; H +] + # thymine +Q: [ +R3: ring6 put N at 3 put N at 5 double 1,2 + bond up from R3.V1 ; CH3 + bond 120 from R3.V3 ; BP + "deoxyribose" ljust with .w at BP.e + double bond down from R3.V4 ; O + double bond -60 from R3.V6 ; O + bond -120 from R3.V5 ; H +] with .O at P.H + (.3,.3) + bond from Q.O.sw to P.H.ne dotted + bond from Q.H.sw to P.Conn dotted + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAa_polymer.chem b/contrib/chem/examples/122/chAa_polymer.chem new file mode 100644 index 0000000..3293454 --- /dev/null +++ b/contrib/chem/examples/122/chAa_polymer.chem @@ -0,0 +1,72 @@ +chAa_polymer.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +# epoxy based on the m-phenyldiamine cured bisphenol-A + size 8 + bond dotted + bond ; N + bond ; CH2 + bond down from N +R1: benzene + bond 120 length .1 from R1.V3 ; N + bond right length .1 from N + bond down length .1 from N +# back to the CH2 + bond right from CH2 ; CH + bond down from CH ; OH + bond right from CH ; CH2 + bond right ; O + bond right + benzene pointing right + bond right ; C + bond up from C ; CH3 + bond down from C ; CH3 + bond right from C + benzene pointing right + bond right ; O + bond right from O ; CH2 + bond right ; CH + bond down from CH ; OH + bond right from CH ; CH2 + bond right ; N + bond right from N + bond dotted + bond down from N +R2: benzene + bond 120 length .1 from R2.V3 ; N + bond right length .1 from N + bond down length .1 from N + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAb_vinyl_chloro.chem b/contrib/chem/examples/122/chAb_vinyl_chloro.chem new file mode 100644 index 0000000..dff97fc --- /dev/null +++ b/contrib/chem/examples/122/chAb_vinyl_chloro.chem @@ -0,0 +1,62 @@ +chAb_vinyl_chloro.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + Cl + bond 120 length .25 ; BP + bond 60 length .25 from BP ; Cl +B1: double bond down length .3 from BP + bond 120 length .35 ; BP +# now comes the ring +R1: ring6 double 1,2 3,4 5,6 with .V6 at BP + bond up length .1 from R1.V1 ; H + bond 60 length .1 from R1.V2 ; H + bond 120 from R1.V3 ; O + bond 60 from O ; C + double bond up from C ; O + bond 120 from C +# continue decorating the ring + bond down length .1 from R1.V4 ; H + bond -120 length .1 from R1.V5 ; H +# now go back and do the left hand ring + bond -120 length .35 from B1.end ; BP +R2: ring6 double 1,2 3,4 5,6 with .V2 at BP + bond up length .1 from R2.V1 ; H + bond -60 length .1 from R2.V6 ; H + bond -120 from R2.V5 ; O + bond -60 from O + bond down length .1 from R2.V4 ; H + bond 120 length .1 from R2.V3 ; H + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAc_morphine.chem b/contrib/chem/examples/122/chAc_morphine.chem new file mode 100644 index 0000000..c9fbf10 --- /dev/null +++ b/contrib/chem/examples/122/chAc_morphine.chem @@ -0,0 +1,52 @@ +chAc_morphine.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: ring6 double 1,2 + bond -60 from R1.V6 ; HO +R2: ring6 with .V1 at R1.V3 + bond 60 from R2.V2 ; N + bond right from N ; CH3 +R3: benzene with .V1 at R2.V5 + bond -120 from R3.V5 ; HO +# this is the furan ring + bond -135 length .33 from R1.V5 ; O + bond -45 length .33 from R3.V6 +# this is the odd ring + bond up length .1 from N ; BP +B1: bond up length .33 from R1.V4 + bond to BP + + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAd_chlorophyll.chem b/contrib/chem/examples/122/chAd_chlorophyll.chem new file mode 100644 index 0000000..e2acb22 --- /dev/null +++ b/contrib/chem/examples/122/chAd_chlorophyll.chem @@ -0,0 +1,69 @@ +chAd_chlorophyll.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + Mg + bond 45 ; N +R1: ring5 pointing up put N at 4 double 1,2 4,5 with .V4 at N + bond up from R1.V1 ; CH3 + bond right from R1.V2 ; CH2CH3 + bond 135 from Mg ; N +R2: ring5 pointing down put N at 3 double 1,2 4,5 with .V3 at N + bond right from R2.V5 ; CH3 + bond 225 from Mg ; N +R3: ring5 pointing down put N at 4 double 3,4 with .V4 at N + bond -45 from Mg ; N +R4: ring5 pointing up put N at 3 double 1,5 with .V3 at N + bond left from R4.V5 ; H3C + bond up from R4.V1 ; CH + double bond right length .1 from CH ; CH2 + double bond 150 length .3 from R1.V3 + bond to R2.V4 +R5: ring5 pointing 72 with .V5 at R2.V2 + double bond 135 from R5.V2 ; O + bond down from R5.V3 ; C + double bond left length .1 from C ; O + bond down from C ; O + CH3 left of O + double bond -25 from R5.V4 + bond down from R3.V1 ; CH2 + CH2 left of CH2 + bond left ; C + double bond -45 ; O + bond -135 from C ; C20H39O + bond left from R3.V2 ; H3C + double bond -150 length .3 from R4.V4 + bond to R3.V3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAe_chair.chem b/contrib/chem/examples/122/chAe_chair.chem new file mode 100644 index 0000000..27b046a --- /dev/null +++ b/contrib/chem/examples/122/chAe_chair.chem @@ -0,0 +1,49 @@ +chAe_chair.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +pic define chair { [ + V1: bond 120 length .25 + V2: bond right length .35 + V3: bond 150 length .35 + V4: bond -60 length .25 + V5: bond left length .35 + V6: bond to V1.start +pic ] } +R1: chair +R2: chair with .V1 at R1.V4.start +bond 60 from R2.V4.start ; CH3 +bond down from R2.V4.start ; OH + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAf_arrow.chem b/contrib/chem/examples/122/chAf_arrow.chem new file mode 100644 index 0000000..f135ecb --- /dev/null +++ b/contrib/chem/examples/122/chAf_arrow.chem @@ -0,0 +1,68 @@ +chAf_arrow.chem: +.br +.EQ +delim $$ +.EN +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + + bond length .1 ; BP + bond up length .5 + bond right + bond down length .5 from BP + bond right + bond right from BP ; C + double bond up ; O + bond right from C + benzene pointing right + bond right ; C + double bond up from C ; O + bond right from C ; O + bond right ; CH2 +# this is the statement to make the arrow + line <- from CH2.s down + move down .1 ; "0.085" + CH2CH2CH2 right of CH2 + bond right ; O + bond right length .1 ; BP + bond up length .5 from BP + bond left + bond right length .1 from BP + bond down length .5 from BP ; BP + bond left + "$n$" with .w at BP.se + +# Local Variables: +# mode: Nroff +# End: +.cend +.EQ +delim off +.EN diff --git a/contrib/chem/examples/122/chAg_circle.chem b/contrib/chem/examples/122/chAg_circle.chem new file mode 100644 index 0000000..576c926 --- /dev/null +++ b/contrib/chem/examples/122/chAg_circle.chem @@ -0,0 +1,54 @@ +chAg_circle.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +bond 120 ; C +bond 60 ; C +bond up ; Cl +double bond 120 from C ; C +bond 60 ; C +bond 120 ; C +bond 60 ; C +bond up ; Cl +double bond 120 from C ; C +circle at C rad .08 +bond 60 from C ; C +bond 120 ; C +bond 60 ; C +double bond 120 ; C +bond down ; Cl +bond 60 from C ; C +bond 120 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chAh_brackets.chem b/contrib/chem/examples/122/chAh_brackets.chem new file mode 100644 index 0000000..7605a38 --- /dev/null +++ b/contrib/chem/examples/122/chAh_brackets.chem @@ -0,0 +1,60 @@ +chAh_brackets.chem: +.br +.EQ +delim $$ +.EN +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +[ + bond right ; CH2 + bond 120 ; (CH2) + "$nothing sub n$" + bond 60 ; .CH2 +] +# now put the arrow in + move right .3 + arrow .5 + move right .3 +# begin second structure +[ + bond right ; CH. + bond 120 ; (CH2) + "$nothing sub n$" + bond 60 ; CH3 +] + +# Local Variables: +# mode: Nroff +# End: +.cend +.EQ +delim $$ +.EN diff --git a/contrib/chem/examples/122/chAi_poly_vinyl_chloride.chem b/contrib/chem/examples/122/chAi_poly_vinyl_chloride.chem new file mode 100644 index 0000000..e4539bb --- /dev/null +++ b/contrib/chem/examples/122/chAi_poly_vinyl_chloride.chem @@ -0,0 +1,141 @@ +chAi_poly_vinyl_chloride.chem: +.br +.ps -2 +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +db = .12 +cwid = .095 +A: [ + bond dotted + bond right ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; C. + bond down ; Cl + bond right from C ; CH2 + bond ; CH2 + bond down ; Cl +] +" (6.13a)" ljust at A.e +arrow down .5 from A.s +[ + CH2 + double bond right ; CHCl +] with .w at last arrow.c +B: [ + bond dotted + bond right ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; C + bond up ; Cl + bond down from C ; CH2 + bond ; CH2Cl + bond right from C ; CH2 + bond ; CH + bond down ; Cl + bond right from CH + bond dotted +] with .n at end of last arrow +" (6.13b)" ljust at B.e +C: [ + bond dotted + bond right ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; C. + bond down ; Cl + bond right from C ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH2 + bond down ; Cl +] with .n at B.s - (0,.5) +" (6.14a)" ljust at C.e +arrow down .3 from C.s +[ + CH2 + double bond right + CHCl +] with .w at last arrow.s +arrow down .3 from last arrow.s + +D: [ + bond dotted + bond right ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; C + bond up ; Cl + bond down from C ; CH2 + bond ; CHCl + bond ; CH2 + bond ; CH2Cl + bond right from C ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl + bond right from CH + bond dotted +] with .n at last arrow.s +" (6.14b)" ljust at D.e +E: [ + bond dotted + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl + bond right from CH ; CH2 + bond ; CH + bond down ; Cl +] with .e at B.w - (.5,0) + +arrow from E.ne to A.sw +arrow from E.se to C.nw + +# Local Variables: +# mode: Nroff +# End: +.cend +.ps +2 diff --git a/contrib/chem/examples/122/chBa_jump.chem b/contrib/chem/examples/122/chBa_jump.chem new file mode 100644 index 0000000..cd40a3a --- /dev/null +++ b/contrib/chem/examples/122/chBa_jump.chem @@ -0,0 +1,41 @@ +chBa_jump.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +SiO2 # name = SiO2 +move right 1 +CH3CH2NH2.HCl # name = CH3CH2NH2HCl + + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chBb_bonds.chem b/contrib/chem/examples/122/chBb_bonds.chem new file mode 100644 index 0000000..bc29895 --- /dev/null +++ b/contrib/chem/examples/122/chBb_bonds.chem @@ -0,0 +1,42 @@ +chBb_bonds.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +C +frontbond -170 from C ; H +backbond 10 from C ; CO2H +bond left length .15 from C ; H2N +bond right from C ; CH3 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/122/chBc_rings.chem b/contrib/chem/examples/122/chBc_rings.chem new file mode 100644 index 0000000..950cd0b --- /dev/null +++ b/contrib/chem/examples/122/chBc_rings.chem @@ -0,0 +1,43 @@ +chBc_rings.chem: +.br +.cstart + +# Example file for 'chem': + +# This originates from Computing Science Technical Report No. 122 +# CHEM - A Program for Typesetting Chemical Diagrams: User Manual +# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan +# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +######################################################################## + +R1: benzene + bond -120 from R1.V5 ; CH3O +R2: ring4 pointing 45 with .V4 at R1.V2 +R3: aromatic ring6 put N at 4 put S at 2 at R2 + (.75,0) +R4: ring5 pointing left at R3 + (.75,0) + label R4 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/README.txt b/contrib/chem/examples/README.txt new file mode 100644 index 0000000..6786705 --- /dev/null +++ b/contrib/chem/examples/README.txt @@ -0,0 +1,47 @@ +This directory contains examples for the 'chem' language. + +You can view the graphical display of the examples by calling + + @g@chem <file> | groff -p ... + +On the displays, you can see rings consisting of several lines and +bonds (lines). All points on rings and bonds that do not have a +notation mean a C atom (carbon) filled with H atoms (hydrogen) such +that the valence of 4 is satisfied. + +For example, suppose you have just a single line without any +characters. That means a bond. It has two points, one at each end of +the line. So each of these points stands for a C atom, the bond +itself connects these 2 C atoms. To fulfill the valence of 4, each +points has to carry additionally 3 H atoms. So the single empty bond +stands for CH3-CH3, though this combination doesn't make much sense +chemically. + + +####### License + +Copyright (C) 2006-2020 Free Software Foundation, Inc. +Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +This file is part of 'chem', which is part of 'groff'. + +'groff' is free software; you can redistribute it and/or modify it +under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +'groff' is distributed in the hope that it will be useful, but WITHOUT +ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or +FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License +for more details. + +The GPL2 license text is available in the internet at +<http://www.gnu.org/licenses/gpl-2.0.html>. + + +##### Editor settings +Local Variables: +fill-column: 72 +mode: text +End: +vim: set textwidth=72: diff --git a/contrib/chem/examples/atp.chem b/contrib/chem/examples/atp.chem new file mode 100644 index 0000000..738c4da --- /dev/null +++ b/contrib/chem/examples/atp.chem @@ -0,0 +1,58 @@ +atp.chem: +.cstart + +# Example file for 'chem': +# ATP or C10_H16_N5_O13_P3 or +# [[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy- +# phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid + +# Found at http://www.chemindustry.com/apps/chemicals. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +R1: ring5 pointing left double 1,2 3,4 put N at 2 put N at 5 +B: benzene put N at 2 with .V6 at R1.V3 with .V5 at R1.V4 + bond up ; NH2 + backbond 170 length .7 from R1.V5 +R2: ring5 pointing down with .V2 put O at 1 + bond down at R2.V2 ; H + bond down length .1 at R2.V3 ; H + bond up length .1 at R2.V3 ; OH + bond down length .1 at R2.V4 ; H + bond up length .1 at R2.V4 ; OH + frontbond 70 at R2.V5 + bond 110 ; O + bond right ; P + doublebond up ; O + bond down from P ; OH + bond right from P ; O + bond right ; P + doublebond up ; O + bond down from P ; OH + bond right from P ; O + bond right ; P + doublebond up ; O + bond down from P ; OH + bond right from P ; OH + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/cholesterin.chem b/contrib/chem/examples/cholesterin.chem new file mode 100644 index 0000000..12ac076 --- /dev/null +++ b/contrib/chem/examples/cholesterin.chem @@ -0,0 +1,47 @@ +cholesterin.chem: +.cstart + +# Example file for 'chem': +# Cholesterin or C27_H46O or +# 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,9,11,12,14,15,16,17- +# dodecahydro-1H-cyclopenta[a]phenanthren-3-ol + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +R1: ring6 + bond -120 ; HO +R2: ring6 with .V5 at R1.V3 with .V6 at R1.V2 double 4,5 + bond up at R2.V6 +R3: ring6 with .V5 at R2.V1 with .V4 at R2.V2 +R4: flatring5 pointing up with .V4 at R3.V3 with .V5 at R3.V2 + bond up at R4.V5 + bond up at R4.V1 +B1: bond -60 + bond 60 at B1.start + bond 120 + bond 60 + bond 120 +B2: bond 60 + bond down at B2.start + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/ethamivan.chem b/contrib/chem/examples/ethamivan.chem new file mode 100644 index 0000000..a0a8aa2 --- /dev/null +++ b/contrib/chem/examples/ethamivan.chem @@ -0,0 +1,43 @@ +ethamivan.chem: +.cstart + +# Example file for 'chem': +# Ethamivan or Analepticon or C12_H17_N_O3 or +# N,N-diethyl-4-hydroxy-3-methoxy-benzamide + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +R: ring pointing left double 2,3 4,5 6,1 + bond left from R.V1 ; O + bond left ; H + bond -150 from R.V6 ; O + bond left + bond 60 from R.V4 +B1: double bond up ; O + bond 120 from B1.start ; N + bond 45 + bond right + bond 135 from N + bond right + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/lsd.chem b/contrib/chem/examples/lsd.chem new file mode 100644 index 0000000..4879ea8 --- /dev/null +++ b/contrib/chem/examples/lsd.chem @@ -0,0 +1,46 @@ +lsd.chem: +.cstart + +# Example file for 'chem': +# LSD or Lysergic acid dethylamide or C20_H25_N3O or +# 9,10-Didehydro-N,N-diethyl-6-methyl-ergoline-8-beta-carboxamide + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +F: flatring5 pointing left put N at 5 double 3,4 + H below F.N +B: benzene pointing right with .V1 at F.V2 +R1: ring pointing right with .V4 at B.V6 + front bond right from R1.V6 ; H +R2: ring pointing right with .V2 at R1.V6 put N at 1 double 3,4 + bond right from R2.N + back bond -60 from R2.V5 ; H + bond up from R2.V5 +B1: double bond up ; O + bond right from B1.start ; N + bond 45 + bond right + bond 135 from N + bond right + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +.cend diff --git a/contrib/chem/examples/morphine.chem b/contrib/chem/examples/morphine.chem new file mode 100644 index 0000000..5c236ca --- /dev/null +++ b/contrib/chem/examples/morphine.chem @@ -0,0 +1,51 @@ +morphine.chem: +.cstart + +# Example file for 'chem': +# Morphine or C23_H31_N3O or +# N,N-diethyl-N'-(2-methoxyacridin-9-yl)-pentane-1,4-diamine + +# Found at http://www.chemindustry.com/apps/chemicals. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +R1: benzene +R2: benzene with .V6 at R1.V2 with .V5 at R1.V3 put N at 4 +R3: benzene with .V6 at R2.V2 with .V5 at R2.V3 + bond 60 at R3.V2 ; O + bond 120 + bond up at R2.V1 ; N + bond 60 ; H + bond -60 at N +B1: backbond -120 + bond up at B1.start + bond -60 + bond up + bond -60 ; N + bond up + bond -60 + bond -120 at N + bond -60 + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/penicillin.chem b/contrib/chem/examples/penicillin.chem new file mode 100644 index 0000000..ef522bc --- /dev/null +++ b/contrib/chem/examples/penicillin.chem @@ -0,0 +1,52 @@ +penicillin.chem: +.cstart + +# Example file for 'chem': +# Penicillin or C16_H18_N2_O4_S or +# 3,3-dimethyl-6-oxo-7-(2-phenylacetyl)amino-2-thia-5- +# azabicyclo[3.2.0]heptane-4-carboxylic acid + +# Found at http://www.chemindustry.com/apps/chemicals. + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +R1: flatring5 pointing up put S at 1 put N at 4 + bond 45 at R1.V2 + bond 135 at R1.V2 + bond 120 at R1.V3 +D1: doublebond 45 ; O + bond 135 at D1.start ; OH + bond left at R1.N + doublebond -135 ; O + bond left at R1.V5 +B1: bond down length .3 + bond -60 at B1.start ; N + bond up ; H + bond -120 at N +D2: doublebond down ; O + bond -60 at D2.start + bond -120 + benzene + +# Local Variables: +# mode: Nroff +# End: +.cend diff --git a/contrib/chem/examples/reserpine.chem b/contrib/chem/examples/reserpine.chem new file mode 100644 index 0000000..d1b4046 --- /dev/null +++ b/contrib/chem/examples/reserpine.chem @@ -0,0 +1,63 @@ +reserpine.chem: +.PS +begin chem + +# Example file for 'chem': +# Reserpine or C33H40N2O9 + +# Copyright (C) 2006-2020 Free Software Foundation, Inc. +# Written by Bernd Warken <groff-bernd.warken-72@web.de>. + +# This file is part of 'chem', which is part of 'groff'. + +# 'groff' is free software; you can redistribute it and/or modify it +# under the terms of the GNU General Public License (GPL) version 2 as +# published by the Free Software Foundation. + +# 'groff' is distributed in the hope that it will be useful, but +# WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU +# General Public License for more details. + +# You should have received a copy of the GNU General Public License +# along with this program. If not, see <http://www.gnu.org/licenses/>. + +# The GPL2 license text is available in the internet at +# <http://www.gnu.org/licenses/gpl-2.0.html>. + +R1: benzene pointing up + bond -120 from R1.V5 ; O + bond left +R2: flatring5 pointing down double 4,5 with .V2 at R1.V3 with .V3 at R1.V2 put N at 1 + H below R2.V1 +R3: ring put N at 3 with .V5 at R2.V5 +R4: ring put N at 1 with .V1 at R3.V3 + back bond -120 from R4.V4 ; H + back bond 60 from R4.V3 ; H +R5: ring with .V1 at R4.V3 + bond -120 +D1: double bond down ; O + bond left from D1.start ; O + bond left + back bond 60 from R5.V3 ; H + back bond down from R5.V4 ; O + bond down from O + bond 120 from R5.V3 ; O + bond 50 from O +D2: double bond up ; O + bond right length .1 from D2.start +B: benzene pointing right + bond 45 from B.V6 ; O + bond right + bond right from B.V1 ; O + bond right + bond 135 from B.V2 ; O + bond right + +# Local Variables: +# fill-column: 72 +# mode: Nroff +# End: +# vim: set textwidth=72: +end +.PE |