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authorKarl Berry <karl@freefriends.org>2016-08-06 22:38:49 +0000
committerKarl Berry <karl@freefriends.org>2016-08-06 22:38:49 +0000
commit26d5c51066cc6a4f833138783d77c0889b273f28 (patch)
treee3e7fbb75c5b83358c9de1f315de2b54b236808c /Master
parentaad4addc4e1de95b77a927d9ffbe46b6d26d142e (diff)
mcf2graph (6aug16)
git-svn-id: svn://tug.org/texlive/trunk@41814 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master')
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG7
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/README4
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf17
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdfbin241608 -> 241812 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex2
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-042.eps (renamed from Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps)17
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf99
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdfbin430115 -> 476539 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex241
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdfbin123678 -> 123162 bytes
-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex11
-rw-r--r--Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf35
12 files changed, 326 insertions, 107 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index d214c28b950..611d4ab2851 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,11 @@
*******************************************************************************
- Changelog of mcf2graph software package by Akira Yamaji 2016-07-10
+ Changelog of mcf2graph software package by Akira Yamaji 2016-08-06
*******************************************************************************
+[ver. 3.96 / 2016-08-06]
+ -large scaled rings can fuse
+ 5,6,7,8 membered ring scaled 11/10,12/10,13/10,14/10,15/10
+ -update MCF syntax manual
+
[ver. 3.95 / 2016-07-10]
-improve bond type 'ov'
-update MCF syntax manual and example
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 45491fa57d8..9a1a8a58a9a 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/README
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/README
@@ -1,7 +1,7 @@
********************************************************************************
mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST
Author : Akira Yamaji
- version : 3.95 2016-07-10
+ version : 3.96 2016-08-06
E-mail : mcf2graph@gmail.com
Located at : http://www.ctan.org/pkg/mcf2graph
********************************************************************************
@@ -19,7 +19,7 @@
( 3) mcf2graph.mf Macro of Metafont / Metapost
( 4) mcf_manual.tex MCF syntax manual(LaTeX file)
( 5) mcf_man_soc.mf Molecular difinition file for mcf_manual.tex
- ( 6) mcf_man_soc-035.eps No.31 EPS(with color) file of (4)
+ ( 6) mcf_man_soc-042.eps No.42 EPS(with color) file of (4)
( 7) mcf_manual.pdf PDF of (4) (used LaTeX,dvipdfmx)
( 8) mcf_example.tex LaTeX example,
Make file 'mcf_exa_soc-info.aux' before typeset
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
index dcc3ebbcdb0..e0833ba7e6e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.06.19
+% Molecular Coding Format for mcf_example.tex by Akira Yamaji 2016.08.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%-------------------------------------------------------------------------
@@ -27,7 +27,7 @@ var4:="cal_MW"; tag4:="cMW";
%%%% sw_checklist:=1;
%%%% sw_MOLout:=1;
%%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
-%***************************************************************************
+%**************************************************************************
beginfont("EN:Acetamiprid")
MCf(<30,Ph,4\,!,NH,!,!~dr,N,!,CN)
endfont
@@ -92,8 +92,8 @@ beginfont("EN:Tetraconazole")
endfont
%***************************************************************************
beginfont("EN:Endosulfan");
- MCf(<30,?6`1.3,3=?7,2*,210~wf`1.45,&5~wb,6=d,
- @(1,2,5,6,12^-210,12^-150)/Cl,@(8,10)O,9:S,9://O)
+ MCf(<26,?7,7=?6[13],11*,208~wf`1.45,&8~wb,10=dl,@(3,5)O,4:S,4://O,
+ @(8,9,10,11,12^-210,12^-150)/Cl)
endfont;
%***************************************************************************
beginfont("EN:Flutolanil")
@@ -220,10 +220,9 @@ MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
endfont
%**************************************************************************
beginfont("EN:Gibberellin A3");
- MCf(<12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8,
- 4\^155~zf`1.2,O,55,//O^180`1,&2~zb,
- 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me,
- @(3^-60,9^60)*/H)
+ MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
+ 5*,40~zf`1,O,50,//O^180,&14~zb,
+ 2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H)
endfont;
%**************************************************************************
beginfont("EN:Cholesterol")
@@ -390,5 +389,3 @@ beginfont("EN:Atoropin")
endfont
%***************************************************************************
bye
-*****
-bye
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 4d1aeb8c6d0..be83fbebaf0 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index 26e298caed9..29d915c3f97 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.7.10
+% Example of MCF typeset by LaTeX mcf_examples.tex by A.Yamaji 2016.8.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-042.eps
index f307e5d2162..8e619518cfa 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-042.eps
@@ -1,11 +1,24 @@
-%!PS
+%!PS-Adobe-3.0 EPSF-3.0
%%BoundingBox: 47 20 112 93
%%HiResBoundingBox: 47.18906 20.76202 111.88002 92.6236
%%Creator: MetaPost 1.9991
-%%CreationDate: 2016.07.10:0747
+%%CreationDate: 2016.08.06:0835
%%Pages: 1
+%%DocumentResources: procset mpost-minimal
+%%DocumentSuppliedResources: procset mpost-minimal
+%%EndComments
%%BeginProlog
+%%BeginResource: procset mpost-minimal
+/bd{bind def}bind def/fshow {exch findfont exch scalefont setfont show}bd
+/fcp{findfont dup length dict begin{1 index/FID ne{def}{pop pop}ifelse}forall}bd
+/fmc{FontMatrix dup length array copy dup dup}bd/fmd{/FontMatrix exch def}bd
+/Amul{4 -1 roll exch mul 1000 div}bd/ExtendFont{fmc 0 get Amul 0 exch put fmd}bd
+/ScaleFont{dup fmc 0 get Amul 0 exch put dup dup 3 get Amul 3 exch put fmd}bd
+/SlantFont{fmc 2 get dup 0 eq{pop 1}if Amul FontMatrix 0 get mul 2 exch put fmd}bd
+%%EndResource
%%EndProlog
+%%BeginSetup
+%%EndSetup
%%Page: 1 1
0 0 0 setrgbcolor 0 0.65842 dtransform truncate idtransform setlinewidth pop
[] 0 setdash 1 setlinecap 1 setlinejoin 10 setmiterlimit
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index e36123c5a99..8dcf33c778e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.07.10
+% Molecular Coding Format file for mcf_manual.tex by Akira.Yamaji 2016.08.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
input mcf2graph.mf;
%------------------------------------------------------------------------
@@ -37,6 +37,13 @@ beginfont("EN:Jump and Branch")
sw_numberA:=1;
max_bond_width:=0.20;
ratio_chain_ring:=1;
+ MCf(<30,!6,3*,0,!,5*,-30)
+endfont
+%***********************************************************************
+beginfont("EN:Jump and Branch")
+ sw_numberA:=1;
+ max_bond_width:=0.20;
+ ratio_chain_ring:=1;
MCf(<30,!6,3\,!)
endfont
%***********************************************************************
@@ -60,17 +67,27 @@ endfont
%***********************************************************************
beginfont("EN:change bond 1")
ratio_chain_ring:=1;
- MCf(<30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb)
+ MCf(<30,!~dm,!~dl,!~dr,!~tm)
endfont
%***********************************************************************
beginfont("EN:change bond 2")
ratio_chain_ring:=1;
- MCf(<30,!5,1=vf,2=vb,3=tm,4=dt,5=wv)
+ MCf(<30,!~wf,!~wb,!~zf,!~zb)
endfont
%***********************************************************************
beginfont("EN:change bond 3")
ratio_chain_ring:=1;
- MCf(<30,!3,!`2,!,$(2,4)dr,@(3~bd`2^-30,5~ov^85`3,3~bz`3^-70)/Me)
+ MCf(<30,!4,1=vf,2=vb,3=dt,4=wv)
+endfont
+%***********************************************************************
+beginfont("EN:change bond 4")
+ ratio_chain_ring:=1;
+ MCf(<30,!3,!`2,!,@(3~bd`2^-30,5~ov^85`3,3~bz`3^-70)/Me)
+endfont
+%***********************************************************************
+beginfont("EN:change bond 4")
+ ratio_chain_ring:=1;
+ MCf(<30,!7,$(2,4,6)dr)
endfont
%***********************************************************************
beginfont("EN:change bond length1")
@@ -85,6 +102,12 @@ beginfont("EN:change bond length2")
MCf(<30,!2,``1.2,!4)
endfont
%***********************************************************************
+beginfont("EN:Make brock")
+ sw_start_vector:=1;
+ sw_numberB:=1;
+ MCf(<30,!2,{,``1.2,!2,},!2)
+endfont
+%***********************************************************************
beginfont("EN:change ring length")
sw_start_vector:=1;
MCf(?6,4\,?6`1.2,5=?6,11=?6)
@@ -107,8 +130,14 @@ beginfont("EN:change atom 3")
MCd(.7,1)(.5,0)(?6,4\,?6)
endfont
%***********************************************************************
-beginfont("EN:change atom brock address")
- MCd(.7,1)(.5,1)(?6,4\,|,?6,2:O,||,2:N)
+beginfont("EN:change atom brock address 1")
+ MCd(.7,1)(.5,1)(?6,4\,|,?6,2:O)
+ sw_numberA:=1;
+ MCd(.7,.5)(.5,0)(?6,4\,?6)
+endfont
+%***********************************************************************
+beginfont("EN:change atom brock address 2")
+ MCd(.7,1)(.5,1)(?6,4\,|,?6,||,2:N)
sw_numberA:=1;
MCd(.7,.5)(.5,0)(?6,4\,?6)
endfont
@@ -125,10 +154,14 @@ beginfont("EN:change atom relative adress")
MCd(.7,1)(.5,0)(?6,4\,?6)
endfont
%***********************************************************************
-beginfont("EN:fused ring 1")
- sw_start_vector:=1;
+beginfont("EN:fused ring")
sw_numberB:=1;
- MCf(<30,?6,3=?5,$(3)dt,$(7,8,9,10)bd)
+ MCf(<30,?6,3=?6,$(3)dt,$(7,8,9,10,11)bd)
+endfont
+%***********************************************************************
+beginfont("EN:fused large 6 ring")
+ sw_numberB:=1;
+ MCf(<30,?6,3=?6[13],$(3)dt,$(7,8,9,10,11)bd)
endfont
%***********************************************************************
beginfont("EN:fused ring 1")
@@ -146,9 +179,14 @@ endfont
%***********************************************************************
beginfont("EN:fused ring 3")
sw_numberB:=1;
- MCd(1,.55)(0 ,0)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd)
- MCd(1,.5)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd)
- MCd(1,.60)(1 ,0)(?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd)
+ MCd(1,.6)(0,1)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd)
+ MCd(1,.6)(1,0)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd)
+endfont
+%***********************************************************************
+beginfont("EN:fused ring 4")
+ max_bond_width:=0.15;
+ sw_numberB:=1;
+ MCf(<-30,?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd)
endfont
%***********************************************************************
beginfont("EN:Spiro ring ")
@@ -498,10 +536,6 @@ MCf(<30,Ph,3=?6,7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH,8\,|,!12,@(4,8)/*Me,12:/Me)
endfont
%***********************************************************************
%% Change infomation separater
-beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33")
-MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
-endfont
-%***********************************************************************
beginfont("EN:Ampicillin","CAS:69-53-4","FM:C16H19N3O4S","MW:349.40")
MCf(<45,
?4,2:N,2=?5,-1:S,
@@ -518,6 +552,24 @@ beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
-1\^17,/*Me,!4,/Me,!,
)
endfont
+%***********************************************************************
+beginfont("EN:Warfarin","CAS:81-81-2","FM:C19H16O4","MW:308.33")
+ MCf(
+ <30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!
+ )
+endfont
+%***************************************************************************
+beginfont("EN:Limonin")
+ MCf(<30,?6,$(-3,-4)?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,
+ @(13,15,17,20)O,@(3,12,21)//O,
+ @(4~wf^60,8~zf^60,18^35,18^-35)/Me,@(1^60,5^180,16^60)/*H,
+ 14\*,|,?5,$(1,4)dl,3:O)
+endfont
+%***************************************************************************
+beginfont("EN:Sesamine")
+ MCf(<54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H,
+ #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,#8*\^-12,Ph,|,-3=?5,@(-1,-3)O)
+endfont
%***************************************************************************
beginfont("EN:Colchicine","CAS:477-27-0","FM:C21H23NO6","MW:385.41")
MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7,
@@ -533,12 +585,9 @@ beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","MW:287.31")
endfont
%***********************************************************************
beginfont("EN:Gibberellin A3","CAS:77-06-5","FM:C19H22O6","MW:346.37");
- MCf(
- <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8,
- 4\^155~zf`1.2,O,55,//O^180`1,&2~zb,
- 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me,
- @(3^-60,9^60)*/H
- )
+ MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
+ 5*,40~zf`1,O,50,//O^180,&14~zb,
+ 2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H)
endfont
%***************************************************************************
beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","MW:324.42")
@@ -551,6 +600,12 @@ beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37")
#1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/Me,&3~wb,#3\~wv,!,OH)
endfont
%***************************************************************************
+beginfont("EN:Validamycin")
+ MCf(<30,?6,@(5,6)/OH,3\,-60,OH,
+ #4\,O,-60,|,?6,2:O,@(3,4,5,6)/OH,
+ #1\,NH,!,|,?6,2=d,@(4,5,6)/OH,-4\,!,OH)
+endfont
+%***************************************************************************
beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91")
MCf(?6,5=d,3*,{,``1,36,45,45,45,45,},
&#5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index dbb8d181986..9eb75f91201 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 567ca20244c..fbcf34b1d9e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2016.07.10
+% Molecular Coding Format manual by Akira Yamaji 2016.08.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage{graphicx}
@@ -96,7 +96,7 @@ beginfont("NO:1","EN:Ampicillin") > begin font(information)
MCf(<45,?4,2:N,2=?5,-1:S, > begin MCF (1)
@(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18, >
@(6^35,6^-35)/Me, >
- 4\^75,NH,!,//O,!,NH,!,Ph) > end MCF
+ 4\^75,NH,!,//O,!,/*NH,!,Ph) > end MCF
endfont > end font
%------------------------------------------------------------------------
beginfont("NO:2","EN:Cholesterol") > begin font(information)
@@ -111,8 +111,8 @@ bye
\end{verbatim}
%------------------------------------------------------------------------
{\bf (Molecular structure output)}\vspace{5mm}\\
-\INFO{F:mcf_man_soc,C:84,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:85,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:90,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:91,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
\newpage
%------------------------------------------------------------------------
\noindent%
@@ -121,15 +121,15 @@ bye
char number, molecular information,etc.
\begin{verbatim}
(sw_auxfix=0)
-F:mcf_man_soc;C:85;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin
-F:mcf_man_soc;C:86;cMW:386.6532;cFM:C27H46O;EN:Cholesterol
+F:mcf_man_soc;C:90;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin
+F:mcf_man_soc;C:91;cMW:386.6532;cFM:C27H46O;EN:Cholesterol
.....................................................
.....................................................
(sw_auxfix=1)
F;C;cMW;cFM;EN
-mcf_man_soc;85;349.40462;C16H19N3O4S;Ampicillin
-mcf_man_soc;86;386.6532;C27H46O;Cholesterol
+mcf_man_soc;90;349.40462;C16H19N3O4S;Ampicillin
+mcf_man_soc;91;386.6532;C27H46O;Cholesterol
......................................
......................................
@@ -173,8 +173,8 @@ MW : molecular weight from literature data
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc,C:85,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:90,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:91,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
\end{verbatim}\vspace{5mm}%
@@ -213,11 +213,9 @@ real number minus(-): clockwize
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Jump to atom and branch bond}
\begin{verbatim}
-3* : Jump to A3
-3\ : 3*,0
+n* : Jump to An
- <30,!6,3*,0,!
- <30,!6,3\, !
+ <30,!6,3*,0,!,5*,-30
** An(-999<=n<=4095): atom number
\end{verbatim}
@@ -226,6 +224,18 @@ real number minus(-): clockwize
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Jump to atom and branch bond}
+\begin{verbatim}
+3\ : 3*,0
+
+ <30,!6,3\,!
+
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Connect atom}
\begin{verbatim}
&n : Connect to An
@@ -267,12 +277,27 @@ real number minus(-): clockwize
\MCFtitle{Change bond type (1)}
\begin{verbatim}
a~type : ~~type,a
-dm:double middle,
-dl:double left side, dr:double right side,
-wf:wedge forward, wb:wedge backward,
-zf:wedge dotted, zb:wedge dotted backward
+dm : double middle
+dl : double left side
+dr : double right side
+tm : triple
+
+ <30,!~dm,!~dl,!~dr,!~tm
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Change bond type (1)}
+\begin{verbatim}
+a~type : ~~type,a
+wf : wedge forward
+wb : wedge backward
+zf : wedge dotted
+zb : wedge dotted backward
- <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb
+ <30,!~wf,!~wb,!~zf,!~zb
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -284,11 +309,10 @@ zf:wedge dotted, zb:wedge dotted backward
Bn=bond type : change bond type at Bn
vf : vector forward
vb : vector backward
-tm : triple
dt : dotted
wv : wave
- <30,!6,1=vf,2=vb,3=tm,4=dt,5=bz,5=wv
+ <30,!4,1=vf,2=vb,3=dt,4=wv
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -300,9 +324,8 @@ wv : wave
bd : broad single
bz : broad dotted
ov : over line
-$(2,4)dr : 2=dr,4=dr
-<30,!3,!`2,!,$(2,4)dr,
+<30,!3,!`2,!,
@(3~bd`2^-30,5~ov`3^85,3~bz`3^-70)/Me
** 3~bd^-45`2 : ~~bd,^^-45,'`2,3
@@ -312,9 +335,21 @@ $(2,4)dr : 2=dr,4=dr
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Change bond type (4)}
+\begin{verbatim}
+$(2,4,6)dr : 2=dr,4=dr,6=dr
+
+<30,!7,$(2,4,6)dr
+
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Change bond length (1)}
\begin{verbatim}
-(!,!n,?n)`length : change length of !,!n,?n
+(!,!n)`length : change length of !,!n
<30,!2,!2`1.2,!2
@@ -336,6 +371,18 @@ $(2,4)dr : 2=dr,4=dr
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Make block}
+\begin{verbatim}
+{ : start brock
+} : end brock
+
+ <30,!2,{,``1.2,!2,},!2
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Change ring length}
\begin{verbatim}
?n`length : change ring length
@@ -385,12 +432,22 @@ Insert hetero atom
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Change atom (brock address)}
+\MCFtitle{Change atom (brock address 1)}
\begin{verbatim}
| : divide brock
+
+?6,4\,|,?6,2:O
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Change atom (brock address 2)}
+\begin{verbatim}
|| : reset brock adress
-?6,4\,|,?6,2:O,||,2:N
+?6,4\,|,?6,||,2:N
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -425,9 +482,9 @@ Insert hetero atom
\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Fuse ring (attached 1 bond)}
\begin{verbatim}
-?6,3=?5 : fuse ?5 at B3
+?6,3=?6 : fuse ?6 at B3
- ?6,3=?5
+ ?6,3=?6
** Bn(n:-999<=n<=4095): bond number
\end{verbatim}
@@ -436,6 +493,20 @@ Insert hetero atom
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Fuse large ring (attached 1 bond)}
+\begin{verbatim}
+?6,3=?6[13] : fuse ?6[13] at B3
+?6[13]: 6 membered ring scaled 13/10
+
+ ?6,3=?6[13]
+
+** ?m[n] (5<=m<=8,11<=n<=15)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
\MCFtitle{Fuse multi ring (attached 1 bond)}
\begin{verbatim}
@@ -457,21 +528,36 @@ Insert hetero atom
MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4])
MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3])
MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2])
+
+** ?m[n] (4<=m<=6,n=m-2)
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Fuse ring (attached 3,4 bond)}
+\MCFtitle{Fuse ring (attached 3 bond)}
\begin{verbatim}
(16,4)=?6[3] : fuse 3/6 ring to B16..B4
(16,4)=?5[2] : fuse 2/5 ring to B16..B4
+
+MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3])
+MCd(1,.55)(1,0)(?6,$(3,10)?6,(16,4)=?5[2])
+
+** ?m[n] (5<=m<=6,n=m-3)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Fuse ring (attached 4 bond)}
+\begin{verbatim}
(21,4)=?6[2] : fuse 2/6 ring to B21..B4
-MCd(1,.55)( 0,0)(?6,$(3,10)?6,(16,4)=?6[3])
-MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2])
-MCd(1,.68)(1, 0)(?6,$(3,10,15)?6,(21,4)=?6[2])
+MCf(<-30,?6,$(3,10,15)?6,(21,4)=?6[2])
+
+** ?m[n] (m=6,n=2)
\end{verbatim}
\end{minipage}
\MCFstructure
@@ -672,8 +758,8 @@ $(3)red : change color of B3 red
\end{minipage}
%%%%\MCFstructure % for Metafont
\makebox(72,3.5)[t]{\frame{\makebox(68,42.3)%
-{\includegraphics{mcf_man_soc-035.eps}}}}% for dvipdfmx
-%%%%{\includegraphics[width=30mm]{mcf_man_soc-035.png}}}}% for pdfLaTeX
+{\includegraphics{mcf_man_soc-042.eps}}}}% for dvipdfmx
+%%%%{\includegraphics[width=30mm]{mcf_man_soc-042.png}}}}% for pdfLaTeX
\advance\fontnum\@ne\relax\advance\tempnum\@ne\relax%
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
@@ -1203,11 +1289,11 @@ CAS:CAS number *:default output
\MCFtitle{Change aux information delimiter}
\begin{verbatim}
aux_delimiter:="/";
-beginfont("EN:Warfarin","CAS:81-81-2")
+beginfont("EN:Ampicillin","CAS:69-53-4")
MCf(...) endfont
%% Output to mcf_man_soc-info.aux %%
-F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
+F:mcf_man_soc/C:90/EN:Ampicillin/CAS:69-53-4
**default aux_delimiter=";"
@@ -1222,31 +1308,54 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2
tag3:="NO"; var3:="inf_NO";
tag4:="EN"; var4:="inf_EN";
sw_auxfix:=1; auxtag_out;
-beginfont("EN:Ampicillin","NO:1") ... endfont
+beginfont("EN:Cholesterol","NO:1") ... endfont
%% Output to mcf_man_soc-info.aux %%
F;C;NO;EN
-mcf_man_soc;88;1;Ampicillin
+mcf_man_soc;91;1;Ampicillin
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(1) Cholesterol}
+\MCFtitle{Example(1) Warfarin}
\begin{verbatim}
-
- <30,?6,$(-4,-2)?6,-4=?5,7=dl,
- 1:*/OH,@(4,12)*/Me^60,9:*/H^60,
- 10:/*H^180,@(11,-1)/*H^-60,
- -1\^17,/*Me,!4,/Me,!,
+ <30,Ph,3=?6,8=dl,
+ 10:O,7:/OH,9://O,
+ 8\,/Ph`1,60,!,//O,!
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Example(2) Limonin}
+\begin{verbatim}
+ <30,?6,$(-3,-4)?6,-5=?3,
+ -2=wf,-1=wb,6=?5,-4=?6,-5=wf,
+ @(13,15,17,20)O,@(3,12,21)//O,
+ @(4~wf^60,8~zf^60,18^35,18^-35)/Me,
+ @(1^60,5^180,16^60)/*H,
+ 14\*,|,?5,$(1,4)dl,3:O
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(2) Colchicine}
+\MCFtitle{Example(3) Sesamine}
+\begin{verbatim}
+ <54,?5,1=?5,@(4,7)O,@(1^-54,2^54)*/H,
+ #5*\^-12,Ph,|,-3=?5,@(-1,-3)O,
+ #8*\^-12,Ph,|,-3=?5,@(-1,-3)O
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Example(4) Colchicine}
\begin{verbatim}
<30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7,
$(-1,-4,-6)dl,-2://O,-3:/OH,
@@ -1257,32 +1366,35 @@ mcf_man_soc;88;1;Ampicillin
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(3) Lycorine}
+\MCFtitle{Example(5) Lycorine}
\begin{verbatim}
-
- <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],
- 13=dl,8:N,@(15,17)O,
- 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+ <30,Ph,
+ -4=?6,-2=?6,6=?5,(9,12)=?5[3],
+ 13=dl,
+ 8:N,@(15,17)O,
+ 9:/*H^180,10:*/H^60,
+ 13:*/OH,14:/*OH
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(4) Gibberellin}
+\MCFtitle{Example(6) Gibberellin}
\begin{verbatim}
- <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8,
- 4\^155~zf`1.2,O,55,//O^180`1,&2~zb,
- 5=dl,11=wf,13=wb,
- 7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me,
- @(3^-60,9^60)*/H
+ <18,?5,3=?7,5=?6[12],
+ 8*,160`1.3,&3,
+ 13=dl,6=wf,8=wb,
+ 5*,40~zf`1,O,60,//O^180,&14~zb,
+ 2:/COOH,7://Me,13:*/OH,8:/*OH,
+ 14:*/Me,@(1^60,4^60)*/H
\end{verbatim}
\end{minipage}
\MCFstructure
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(5) Quinine}
+\MCFtitle{Example(7) Quinine}
\begin{verbatim}
<30,Ph,3=Ph,7:N,6:/OMe,
10\,*/OH,/H~zf^-60,!,
@@ -1295,7 +1407,7 @@ mcf_man_soc;88;1;Ampicillin
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(6) Atoropin}
+\MCFtitle{Example(8) Atoropin}
\begin{verbatim}
<-30,O,!,//O,!,!,Ph,
#1\~zb^-120,
@@ -1307,7 +1419,18 @@ mcf_man_soc;88;1;Ampicillin
\vspace{\gpman}\\
%-----------------------------------------------------------------------------
\begin{minipage}[t][\htman]{90mm}
-\MCFtitle{Example(7) Paclitaxel}
+\MCFtitle{Example(9) Validamycin}
+\begin{verbatim}
+ <30,?6,@(5,6)/OH,3\,-60,OH,
+ #4\,O,-60,|,?6,2:O,@(3,4,5,6)/OH,
+ #1\,NH,!,|,?6,2=d,@(4,5,6)/OH,-4\,!,OH
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{\gpman}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][\htman]{90mm}
+\MCFtitle{Example(10) Paclitaxel}
\begin{verbatim}
?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,
-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
index 39f0f2fe7ec..0e60edde594 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index 78ecaeecb20..9d0f1b99042 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.4.27
+% Example of MCF typest with LuaLaTeX(luamplib) by A.Yamaji 2016.8.06
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass{article}
%------------------------------------------------------------------------------
@@ -133,12 +133,9 @@
\begin{mplibcode}
font_wd:=50mm; font_ht:=40mm;
beginfont("NO:4","EN:Gibberellin A3","MW:346.37");
- MCf(<12,
- ?6`1.3,3=?5,9=?7,12\^160`1.6,&8,
- 4\^155~zf`1.2,O,55,//O^180`1,&2~zb,
- 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH,12:/*OH,2:*/Me,
- @(3^-60,9^60)*/H
- )
+ MCf(<18,?5,3=?7,5=?6[12],8*,160`1.3,&3,13=dl,6=wf,8=wb,
+ 5*,40~zf`1,O,60,//O^180,&14~zb,
+ 2:/COOH,7://Me,13:*/OH,8:/*OH,14:*/Me,@(1^60,4^60)*/H)
endfont;
\end{mplibcode}
\inputINFO{temp-info.aux}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 06e221df212..a778a1da880 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.95 Copyright (c) 2013-2016 Akira Yamaji
+% mcf2graph ver 3.96 Copyright (c) 2013-2016 Akira Yamaji
%
% Permission is hereby granted, free of charge, to any person obtaining a copy of this software
% and associated documentation files (the "Software"), to deal in the Software without restriction,
@@ -30,7 +30,7 @@
% Set output checklist : mpost -s ahlength=2 FILENAME
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
tracingstats:=1;
-message " This is mcf2graph ver 3.9 2016.7";
+message " This is mcf2graph ver 3.9 2016.8";
%-------------------------------------------------------------------------------------------------
pair posB[],posA[],pairT,Ls,Le,pairA;
numeric angB[],angA[],br_ang[],sB[],eB[],f_FON[],atom_w[],atom_h[],atom_d[],strA[],stkB[],stkA[],
@@ -252,6 +252,29 @@ def !!?(expr a)(expr b)(expr c) =
PB(_pop,0) if ypart(a)<=0:: PB(_cyc_eB,ypart(a)-c+1) else:: PB(_cyc_eB,ypart(a)) fi
enddef;
%-------------------------------------------------------------------------------------------------
+def fuse_large(expr a)(expr b)(expr c) =
+ if b==5::
+ PB(_jp_bond,a) PB(_push,0) PB(_chg_len,c DIV 10) PB(_mk_bond,72-((c-9) MUL 1.5))
+ PB(_mk_bond,72+(c-9)) PB(_mk_bond,72+(c-9)) PB(_pop,0)
+ if a>=1:: PB(_cyc_eB,0) else:: PB(_cyc_eB,list) fi
+ elseif b==6::
+ PB(_jp_bond,a) PB(_push,0) PB(_chg_len,c DIV 10) PB(_mk_bond,60-(c-8))
+ PB(_mk_bond,60+((c-8) DIV 2)) PB(_mk_bond,60+((c-8) DIV 2)) PB(_mk_bond,60+((c-8) DIV 2))
+ PB(_pop,0) if a>=1:: PB(_cyc_eB,0) else:: PB(_cyc_eB,list) fi
+ elseif b==7::
+ PB(_jp_bond,a) PB(_push,0) PB(_chg_len,c DIV 10) PB(_mk_bond,(360 DIV 7)-(c-8))
+ PB(_mk_bond,360 DIV 7+((c-8) DIV 2.5)) PB(_mk_bond,360 DIV 7+((c-8) DIV 2.5))
+ PB(_mk_bond,360 DIV 7+((c-8) DIV 2.5)) PB(_mk_bond,360 DIV 7+((c-8) DIV 2.5))
+ PB(_pop,0) if a>=1:: PB(_cyc_eB,0) else:: PB(_cyc_eB,list) fi
+ elseif b==8::
+ PB(_jp_bond,a) PB(_push,0) PB(_chg_len,c DIV 10) PB(_mk_bond,(360 DIV 8)-(c-8))
+ PB(_mk_bond,(360 DIV 8)+((c-8) DIV 3)) PB(_mk_bond,(360 DIV 8)+((c-8) DIV 3))
+ PB(_mk_bond,(360 DIV 8)+((c-8) DIV 3)) PB(_mk_bond,(360 DIV 8)+((c-8) DIV 3))
+ PB(_mk_bond,(360 DIV 8)+((c-8) DIV 3))
+ PB(_pop,0) if a>=1:: PB(_cyc_eB,0) else:: PB(_cyc_eB,list) fi
+ fi
+enddef;
+%-------------------------------------------------------------------------------------------------
def PB(expr a,b)= cntBS:=cntBS+1; comMC[ab_num][cntBS]:=a; parMC[ab_num][cntBS]:=b; enddef;
def $$(text t)(expr e) =
begingroup save cntBS; cntBS:=0; ab_num:=ab_num+1;
@@ -261,7 +284,12 @@ def $$(text t)(expr e) =
elseif (e>=?3)and(e<=?20):: for list==t:: !?(list)(e-?3+3) endfor
elseif e==Ph1:: !?(t)(6) PB(_dl,-2) PB(_dl,-4)
elseif e==Ph2:: !?(t)(6) PB(_dl,-1) PB(_dl,-3) PB(_dl,-5)
- elseif comMC[e][1]==_fuse:: for list==t:: !!?(list)(parMC[e][1])(comMC[e][2]) endfor fi
+ elseif comMC[e][1]==_fuse::
+ if comMC[e][2]<=6:: for list==t:: !!?(list)(parMC[e][1])(comMC[e][2]) endfor
+ elseif (comMC[e][2]>=11)and(comMC[e][2]<=15)::
+ for list==t:: fuse_large(list)(parMC[e][1])(comMC[e][2]) endfor
+ fi
+ fi
elseif color e:: color_list[incr cntC]:=e;
for list==t:: PB(_set_adr,list) PB(_set_colorB,cntC) endfor fi fi
cntMC[ab_num]:=cntBS;
@@ -614,6 +642,7 @@ Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5))
for i=1 upto 20: ![i]:='({{,(_get_len,0),! for j==2 upto i::,! endfor,}}); endfor
Me:='(); Et:=!; Pr:='(!2); Bu:='(!3);
for i=4,5,6: for j=2 upto i-2: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
+for i=5,6,7,8: for j=11 upto 15: ?[i][j]:='((_fuse,i),(j,0)); endfor endfor
%-------------------------------------------------------------------------------------------------
H :='("H");C:='("C");N:='("N");O:='("O");F:='("F");S:='("S");P:='("P");I:='("I");
Si:='("{Si}");Al:='("{Al}");Mg:='("{Mg}");Zn:='("{Zn}");As:='("{As}");Cu:='("{Cu}");