Initial Windows agent repository
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24
OGP64/usr/share/doc/groff-1.24.1/examples/chem/README
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24
OGP64/usr/share/doc/groff-1.24.1/examples/chem/README
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|
|
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|
|||
This directory contains examples for the chem language.
|
||||
|
||||
Render the examples with "groff -j".
|
||||
|
||||
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.
|
||||
|
||||
|
||||
##### Editor settings
|
||||
Local Variables:
|
||||
fill-column: 72
|
||||
mode: text
|
||||
End:
|
||||
vim: set textwidth=72:
|
||||
45
OGP64/usr/share/doc/groff-1.24.1/examples/chem/atp.chem
Normal file
45
OGP64/usr/share/doc/groff-1.24.1/examples/chem/atp.chem
Normal file
|
|
@ -0,0 +1,45 @@
|
|||
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.
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>.
|
||||
# Missing nitrogen atom corrected by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
R1: ring5 pointing left double 1,2 put N at 2 put N at 5
|
||||
B: ring6 put N at 2 put N at 4 double 1,2 3,4 5,6 \
|
||||
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
|
||||
|
|
@ -0,0 +1,37 @@
|
|||
cholesterol.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# cholesterol or C27_H46_O or
|
||||
# cholest-5-en-3β-ol (CAS-RN 57-88-5)
|
||||
|
||||
# Ring names as in rule 3S-1.1 of IUPAC recommendations 1989 (see for
|
||||
# instance https://iupac.qmul.ac.uk/steroid/3S01.html)
|
||||
|
||||
A: ring6
|
||||
B: ring6 with .V5 at A.V3 double 4,5
|
||||
C: ring6 with .V5 at B.V1
|
||||
D: ring5 pointing right with .V4 at C.V2
|
||||
|
||||
front bond up at A.V2
|
||||
front bond -120 at A.V5 ; HO
|
||||
back bond down at B.V1 ; H
|
||||
front bond up at B.V2 ; H
|
||||
front bond up at C.V2
|
||||
back bond down at C.V3 ; H
|
||||
back bond 60 at D.V5 ; H
|
||||
bond up at D.V5
|
||||
B1: back 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
|
||||
|
|
@ -0,0 +1,32 @@
|
|||
This directory contains the examples for the chem language written
|
||||
in the Bell Labs paper CSTR #122.
|
||||
|
||||
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
|
||||
|
||||
Historically, this paper was available at
|
||||
<http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>.
|
||||
|
||||
Many of the examples had to be fixed. Unfortunately, the AWK version of
|
||||
chem version does not run on many of these files. The Perl
|
||||
version of chem distributed with groff does.
|
||||
|
||||
Most examples do not use a modern style of depiction. They show carbon
|
||||
atoms explicitly, whereas contemporary practice omits all C atoms and
|
||||
their bound hydrogen atoms. [A chemist should fact-check this. --GBR]
|
||||
|
||||
The examples are named and sorted by the section whence they are found
|
||||
in CSTR #122. For example, the file 'ch4c_colon.chem' [sic] means an
|
||||
example in section 4; the 'c' indicates that it is the third example in
|
||||
this section; the name 'colon' is used to describe the content of the
|
||||
example.
|
||||
|
||||
Render the examples with "groff -j".
|
||||
|
||||
|
||||
##### Editor settings
|
||||
|
||||
Local Variables:
|
||||
mode: text
|
||||
End:
|
||||
|
|
@ -0,0 +1,20 @@
|
|||
ch2a_ethyl.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
CH3
|
||||
bond
|
||||
CH2
|
||||
bond
|
||||
|
||||
# Local Variables:
|
||||
# fill-column: 72
|
||||
# mode: Nroff
|
||||
# End:
|
||||
# vim: set textwidth=72:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch2b_benzene.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
benzene
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch2c_benzene_right.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
benzene pointing right # a rotated benzene ring
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,22 @@
|
|||
ch4a_stick.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,24 @@
|
|||
ch4b_methyl_acetate.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,19 @@
|
|||
ch4c_colon.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
CH3
|
||||
bond ; C
|
||||
double bond 30 ; O
|
||||
bond 120 from C ; O
|
||||
bond right ; CH3
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch4d_HCl.H2O.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
HCl.H2O
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch4e_CaSO4.2H2O.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
CaSO4.2H2O
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,24 @@
|
|||
ch4f_C.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,25 @@
|
|||
ch4g_BP.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
# 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
|
||||
|
|
@ -0,0 +1,42 @@
|
|||
ch4h_methacrylate.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,21 @@
|
|||
ch4i_cyclo.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,17 @@
|
|||
ch4j_ring4.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
ring4 pointing 45
|
||||
|
||||
# Local Variables:
|
||||
# fill-column: 72
|
||||
# mode: Nroff
|
||||
# End:
|
||||
# vim: set textwidth=72:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,17 @@
|
|||
ch4k_ring3.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
R: ring3
|
||||
back bond 120 from R.V2 ; C2H5
|
||||
front bond -120 from R.V3 ; HO
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,22 @@
|
|||
ch4l_vertex.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch4m_double.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
ring double 1,2 3,4 5,6
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch4n_triple.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
ring8 triple 3,4
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,16 @@
|
|||
ch4o_aromatic.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
R: aromatic ring7
|
||||
"+" at R
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,37 @@
|
|||
ch4p_cholestanol.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,23 @@
|
|||
ch4q_rings.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,19 @@
|
|||
ch4r_spiro.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,15 @@
|
|||
ch4s_heteroatoms.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
ring put N at 2 put S at 4 double 2,3 4,5 6,1
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,26 @@
|
|||
ch4t_polycyclic.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,18 @@
|
|||
ch4u_nicotine.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,21 @@
|
|||
ch4v_histidine.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,27 @@
|
|||
ch4w_lsd.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,19 @@
|
|||
ch4x_anisole.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,40 @@
|
|||
ch4y_reserpine.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
#
|
||||
# Corrections by Bernd Warken, 2006.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,56 @@
|
|||
ch4z1_eqn_glutamic.chem:
|
||||
.br
|
||||
.EQ
|
||||
delim $$
|
||||
.EN
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
#
|
||||
# Corrections by Bernd Warken, 2006.
|
||||
|
||||
# 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
|
||||
|
|
@ -0,0 +1,30 @@
|
|||
ch4z2_text.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,22 @@
|
|||
ch5a_size.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
.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
|
||||
|
|
@ -0,0 +1,20 @@
|
|||
ch6a_pic.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,36 @@
|
|||
ch6b_dna.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,49 @@
|
|||
chAa_polymer.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
# 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
|
||||
|
|
@ -0,0 +1,39 @@
|
|||
chAb_vinyl_chloro.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,28 @@
|
|||
chAc_morphine.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,46 @@
|
|||
chAd_chlorophyll.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,26 @@
|
|||
chAe_chair.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,45 @@
|
|||
chAf_arrow.chem:
|
||||
.br
|
||||
.EQ
|
||||
delim $$
|
||||
.EN
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,31 @@
|
|||
chAg_circle.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,37 @@
|
|||
chAh_brackets.chem:
|
||||
.br
|
||||
.EQ
|
||||
delim $$
|
||||
.EN
|
||||
.cstart
|
||||
|
||||
# This originates from Computing Science Technical Report No. 122
|
||||
# CHEM - A Program for Typesetting Chemical Diagrams: User Manual
|
||||
# by Jon L. Bentley, Lynn W. Jelinski, Brian W. Kernighan
|
||||
# <http://cm.bell-labs.com/cm/cs/cstr/122.ps.gz>.
|
||||
|
||||
[
|
||||
bond right ; CH2
|
||||
bond 120 ; (CH2)
|
||||
"$nothing sub n$"
|
||||
bond 60 ; .CH2
|
||||
]
|
||||
# now put the arrow in
|
||||
move right .3
|
||||
arrow .5
|
||||
move right .3
|
||||
# begin second structure
|
||||
[
|
||||
bond right ; CH.
|
||||
bond 120 ; (CH2)
|
||||
"$nothing sub n$"
|
||||
bond 60 ; CH3
|
||||
]
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
.EQ
|
||||
delim $$
|
||||
.EN
|
||||
|
|
@ -0,0 +1,118 @@
|
|||
chAi_poly_vinyl_chloride.chem:
|
||||
.br
|
||||
.ps -2
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,17 @@
|
|||
chBa_jump.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
SiO2 # name = SiO2
|
||||
move right 1
|
||||
CH3CH2NH2.HCl # name = CH3CH2NH2HCl
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,19 @@
|
|||
chBb_bonds.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,20 @@
|
|||
chBc_rings.chem:
|
||||
.br
|
||||
.cstart
|
||||
|
||||
# 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>.
|
||||
|
||||
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
|
||||
|
|
@ -0,0 +1,27 @@
|
|||
ethamivan.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# Ethamivan or Analepticon or C12_H17_N_O3 or
|
||||
# N,N-diethyl-4-hydroxy-3-methoxy-benzamide (CAS-RN: 304-84-7)
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>.
|
||||
|
||||
R: ring6 pointing 60 double 1,2 3,4 5,6
|
||||
bond 60 from R.V1
|
||||
B1: double bond up ; O
|
||||
bond 120 from B1.start ; N
|
||||
bond 60
|
||||
bond 120
|
||||
bond down from N
|
||||
bond 120
|
||||
bond -120 from R.V4 ; HO
|
||||
bond -60 from R.V5 ; O
|
||||
bond -120
|
||||
|
||||
# Local Variables:
|
||||
# fill-column: 72
|
||||
# mode: Nroff
|
||||
# End:
|
||||
# vim: set textwidth=72:
|
||||
.cend
|
||||
31
OGP64/usr/share/doc/groff-1.24.1/examples/chem/lsd.chem
Normal file
31
OGP64/usr/share/doc/groff-1.24.1/examples/chem/lsd.chem
Normal file
|
|
@ -0,0 +1,31 @@
|
|||
lsd.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# LSD or Lysergic acid diethylamide or C20_H25_N3_O (CAS-RN: 50-37-3)
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
|
||||
# reorganized by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
A: ring6 double 1,2 3,4 5,6
|
||||
B: flatring5 pointing up with .V4 at A.V3 put N at 3 double 1,2
|
||||
C: ring6 with .V3 at B.V1
|
||||
D: ring6 with .V3 at C.V1 put N at 2 double 4,5
|
||||
|
||||
H right of B.N
|
||||
bond 60 from D.V2
|
||||
frontbond 60 from D.V3 ; H
|
||||
BP: frontbond -60 from D.V6
|
||||
doublebond up ; O
|
||||
bond -120 from BP.end ; N
|
||||
bond -60 from N
|
||||
bond -120
|
||||
bond down from N
|
||||
bond -120
|
||||
|
||||
# Local Variables:
|
||||
# fill-column: 72
|
||||
# mode: Nroff
|
||||
# End:
|
||||
# vim: set textwidth=72:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,38 @@
|
|||
mepacrine.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# mepacrine or atabrine or quinacrine or C_23H30_ClN_3O (CAS-RN: 83-89-6)
|
||||
#
|
||||
# Found at https://en.wikipedia.org/wiki/Mepacrine
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
|
||||
# reorganized by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
R1: ring6 double 1,2 3,4 5,6
|
||||
R2: ring6 with .V5 at R1.V3 put N at 4 double 1,2 3,4
|
||||
R3: ring6 with .V5 at R2.V3 double 1,2 3,4
|
||||
|
||||
bond -120 at R1.V5 ; Cl
|
||||
|
||||
bond up at R2.V1 ; N
|
||||
H left of N
|
||||
bond 60 from N
|
||||
BP: bond 120
|
||||
bond up from BP.start
|
||||
bond 120 from BP.start
|
||||
bond 60
|
||||
bond 120
|
||||
bond 60 ; N
|
||||
bond up
|
||||
bond 60
|
||||
bond 120 from N
|
||||
bond 60
|
||||
|
||||
bond 60 at R3.V2 ; O
|
||||
bond 120
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
32
OGP64/usr/share/doc/groff-1.24.1/examples/chem/morphine.chem
Normal file
32
OGP64/usr/share/doc/groff-1.24.1/examples/chem/morphine.chem
Normal file
|
|
@ -0,0 +1,32 @@
|
|||
morphine.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# Morphine or C_17H_19NO_3 (CAS-RN: 57-27-2)
|
||||
#
|
||||
# Found at https://en.wikipedia.org/wiki/Morphine
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
|
||||
# reorganized by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
R1: ring6 double 1,2 3,4 5,6
|
||||
R2: ring6 with .V1 at R1.V3
|
||||
R3: ring6 with .V1 at R2.V5 double 3,4
|
||||
|
||||
bond -150 length 0.28 from R1.V5 ; O
|
||||
backbond -30 length 0.28 from R3.V6
|
||||
|
||||
frontbond 120 from R2.V3 ; N
|
||||
Me right of N
|
||||
BP: bond up from N
|
||||
frontbond 50 from R2.V5
|
||||
bond right to BP.end
|
||||
|
||||
bond -60 from R1.V6 ; HO
|
||||
frontbond 120 from R2.V4 ; H
|
||||
backbond -120 from R3.V5 ; HO
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,33 @@
|
|||
penicillin.chem:
|
||||
.cstart
|
||||
|
||||
# Example file for chem:
|
||||
# benzylpenicillin or C16_H18_N2_O4_S or
|
||||
# (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-
|
||||
# 1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CAS-RN: 61-33-6)
|
||||
#
|
||||
# Found at https://en.wikipedia.org/wiki/Benzylpenicillin
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
|
||||
# partial rewrite by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
R1: ring4 pointing 45 put N at 2
|
||||
R2: ring5 pointing right with .V3 at R1.V2 put N at 3 put S at 5
|
||||
|
||||
doublebond -130 at R1.V3 ; O
|
||||
frontbond -60 at R1.V4 ; N
|
||||
B1: bond -120
|
||||
doublebond down ; O
|
||||
bond -60 at B1.end
|
||||
bond -120
|
||||
ring6 double 1,2 3,4 5,6
|
||||
H above N
|
||||
|
||||
bond 60 at R2.V1
|
||||
bond 120 at R2.V1
|
||||
backbond 160 at R2.V2 ; CO2H
|
||||
|
||||
# Local Variables:
|
||||
# mode: Nroff
|
||||
# End:
|
||||
.cend
|
||||
|
|
@ -0,0 +1,39 @@
|
|||
reserpine.chem:
|
||||
|
||||
.cstart
|
||||
# Example file for chem:
|
||||
# Reserpine or C_33H_40N_2O_9 (CAS-RN: 50-55-5).
|
||||
#
|
||||
# Found at https://en.wikipedia.org/wiki/Reserpine
|
||||
#
|
||||
# Prepared by Bernd Warken <groff-bernd.warken-72@web.de>,
|
||||
# reorganized by Norwid Behrnd <nbehrnd@yahoo.com>.
|
||||
|
||||
R1: ring6 double 1,2 3,4 5,6
|
||||
R2: flatring5 pointing down with .V2 at R1.V3 put N at 1 double 4,5
|
||||
R3: ring6 with .V5 at R2.V5 put N at 3
|
||||
R4: ring6 with .V1 at R3.V3 put N at 1 # prevent a struck-through N
|
||||
R5: ring6 with .V1 at R4.V3
|
||||
frontbond 120 from R5.V3 ; O
|
||||
bond 60
|
||||
BP: doublebond up ; O
|
||||
bond 120 from BP.start
|
||||
R6: ring6 double 1,2 3,4 5,6
|
||||
|
||||
bond -120 from R1.V5 ; MeO
|
||||
H below R2.N
|
||||
frontbond -120 from R3.V4 ; H
|
||||
backbond 60 from R4.V3 ; H
|
||||
backbond -120 from R4.V4 ; H
|
||||
backbond down from R5.V4 ; OMe
|
||||
frontbond -120 from R5.V5 ; MeO2C
|
||||
bond 060 from R6.V2 ; OMe
|
||||
bond 120 from R6.V3 ; OMe
|
||||
bond 180 from R6.V4 ; OMe
|
||||
|
||||
# Local Variables:
|
||||
# fill-column: 72
|
||||
# mode: Nroff
|
||||
# End:
|
||||
# vim: set textwidth=72:
|
||||
.cend
|
||||
Loading…
Add table
Add a link
Reference in a new issue