mcf2graph (10jul16)

git-svn-id: svn://tug.org/texlive/trunk@41674 c570f23f-e606-0410-a88d-b1316a301751

12 files changed, 165 insertions, 158 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 0b559cd94c8..d214c28b950 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,10 @@
 *******************************************************************************
- Changelog of mcf2graph software package        by Akira Yamaji 2016-06-19
+ Changelog of mcf2graph software package        by Akira Yamaji 2016-07-10
 *******************************************************************************
+[ver. 3.95  / 2016-07-10]
+  -improve bond type 'ov'
+  -update MCF syntax manual and example
+
 [ver. 3.94  / 2016-06-19]
   -set maximum ratio atom size / bond length to 0.8
    for avoid error when font size is very small
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 6a03f94c432..45491fa57d8 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    : 3.94 2016-06-19
+ version    : 3.95 2016-07-10
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -19,14 +19,14 @@
  ( 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-031.eps    No.31 EPS(with color) file of (4)
+ ( 6) mcf_man_soc-035.eps    No.31 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
                                >mpost -s ahangle=0 mcf_exa_soc.mf
  ( 9) mcf_exa_soc.mf         Molecular difinition file for mcf_example.tex
  (10) mcf_example.pdf        PDF of (8) (used LaTeX,dvipdfmx)
- (11) mcf_mplib_exa.tex      luamplib v2.11(LuaLaTeX) example
+ (11) mcf_mplib_exa.tex      luamplib(LuaLaTeX) example
  (12) mcf_example.pdf        PDF of (11) typeset with LuaTeX(LuaLaTeX)
 
 3. How to use mcf2graph with Metapost
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 72c2aef5a87..dcc3ebbcdb0 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -3,8 +3,8 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 input mcf2graph.mf;
 %-------------------------------------------------------------------------
-font_wd#:=35mm#;
-font_ht#:=25mm#;
+font_wd#:=33mm#;
+font_ht#:=24mm#;
 max_bond_width:=0.15;
 %-------------------------------------------------------------------------
 sw_auxout:=1;
@@ -12,6 +12,9 @@ sw_font_frame:=0;
 sw_atom_frame:=0;
 sw_expand:=0;
 sw_start_vector:=0;
+var3:="cal_FM";  tag3:="cFM";
+var4:="cal_MW";  tag4:="cMW";
+%%%% outputtemplate:="%3c-%j.png";
 %%%% sw_auxfix:=1;
 %%%% var3:="len_x";   tag3:="Lx";
 %%%% var4:="len_y";   tag4:="Ly";
@@ -189,7 +192,7 @@ endfont
 beginfont("EN:Ampicillin")
   MCf(<45,?4,-3=?5,2:N,7:S,
     @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me,
-   ,4\^75,NH,!,//O,!,NH,!,Ph)
+   ,4*\^75,NH,!,//O,!,/*NH2,!,Ph)
 endfont
 %***************************************************************************
 beginfont("EN:Validamycin")
@@ -272,8 +275,8 @@ beginfont("EN:Emetine")
 endfont
 %***************************************************************************
 beginfont("EN:Colchicine")
-  MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7,|,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
-     #9\,NH,!,//O,!)
+  MCf(<30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OH,
+     9\,NH,!,//O,!)
 endfont
 %***************************************************************************
 beginfont("EN:Caffeine")
@@ -309,7 +312,7 @@ beginfont("EN:Podophyllotoxin");
 endfont;
 %***************************************************************************
 beginfont("EN:Warfarin");
-  MCf(<30,Ph,3=?6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
+  MCf(<30,Ph,3=?6,8=dl,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
 endfont;
 %***************************************************************************
 beginfont("EN:Genistein");
@@ -387,3 +390,5 @@ 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 85414e94da6..4d1aeb8c6d0 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.tex
index 5ebaf163b5c..26e298caed9 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  2016.4.28
+% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2016.7.10
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
@@ -26,13 +26,13 @@
   \ifx\@tag\@Lx\edef\MOLlenx{\@var}\fi   \ifx\@tag\@Ly\edef\MOLleny{\@var}\fi%
   \ifx\@tag\@EN\edef\MOLnameE{\@var}\fi  \ifx\@tag\@JN\edef\MOLnameJ{\@var}\fi%
   \ifx\@tag\@CAS\edef\MOLcas{\@var}\fi   \ifx\@tag\@USE\edef\MOLuse{\@var}\fi%
-  \ifx\@tag\@FM\edef\MOLfm{\@var}\fi     \ifx\@tag\@FMc\edef\CALfm{\@var}\fi%
-  \ifx\@tag\@MW\edef\MOLmw{\@var}\fi     \ifx\@tag\@MWc\edef\CALmw{\@var}\fi%
+  \ifx\@tag\@FM\edef\MOLfm{\@var}\fi     \ifx\@tag\@cFM\edef\CALfm{\@var}\fi%
+  \ifx\@tag\@MW\edef\MOLmw{\@var}\fi     \ifx\@tag\@cMW\edef\CALmw{\@var}\fi%
   \ifx\@tag\@logP\edef\MOLlogP{\@var}\fi \ifx\@tag\@EXA\edef\MOLextA{\@var}\fi%
   \ifx\@tag\@EXB\edef\MOLextB{\@var}\fi  \ifx\@tag\@NO\edef\MOLnum{\@var}\fi\fi}%
 %-------------------------------------------------------------------------------
 \def\@F{F}\def\@C{C}\def\@EN{EN}\def\@JN{JN}\def\@CAS{CAS}%
-\def\@MW{MW}\def\@MWc{MWc}\def\@FM{FM}\def\@FMc{FMc}\def\@Lx{Lx}\def\@Ly{Ly}%
+\def\@MW{MW}\def\@cMW{cMW}\def\@FM{FM}\def\@cFM{cFM}\def\@Lx{Lx}\def\@Ly{Ly}%
 \def\@NO{NO}\def\@USE{USE}\def\@logP{logP}\def\@EXA{EXA}\def\@EXB{EXB}%
 %-------------------------------------------------------------------------------
 \def\@fst@param#1:#2;{#1}\def\@sec@param#1:#2;{#2}%
@@ -43,6 +43,8 @@
   \begin{picture}(\@tempcntb,\@tempcnta)%
      \advance\@tempcnta -300\relax%
      \put(20,\@tempcnta){\tiny\bf [\the\fontnum] \MOLnameE}%
+     \advance\@tempcnta -250\relax%
+     \put(20,\@tempcnta){\tiny\tt FM:\CALfm { / }MW:\CALmw}%
      \put( 0,0){\makebox(\@tempcntb,\@tempcnta){\@stru{\MOLfile}[\MOLchar]}}%
   \end{picture}%
   \advance\fontnum\@ne\relax\advance\tnum\@ne\relax%
@@ -68,8 +70,10 @@
 \begin{center}
  {\LARGE\bf Molecular Coding Format examples}\vspace{5mm}\\
  Author : Akira Yamaji \quad Date : \today\\
- Located at : http://www.ctan.org/pkg/mcf2graph\vspace{7mm}\\
+ Located at : http://www.ctan.org/pkg/mcf2graph\vspace{3mm}\\
 \end{center}
+{\footnotesize ** FM:Molecular formula calculated by mcf2graph \quad
+ ** MW:Molecular weight calculated by mcf2graph}\vspace{3mm}\\
 \fontnum=1%
 \noindent%
 %------------------------------------------------------------------------
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-031.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-031.eps
deleted file mode 100644
index eaab8f569eb..00000000000
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-031.eps
+++ /dev/null
@@ -1,77 +0,0 @@
-%!PS
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-%%Creator: MetaPost 1.999
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diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps
new file mode 100644
index 00000000000..f307e5d2162
--- /dev/null
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc-035.eps
@@ -0,0 +1,77 @@
+%!PS
+%%BoundingBox: 47 20 112 93 
+%%HiResBoundingBox: 47.18906 20.76202 111.88002 92.6236 
+%%Creator: MetaPost 1.9991
+%%CreationDate: 2016.07.10:0747
+%%Pages: 1
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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 7669ddb210e..e36123c5a99 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 2016.04.10
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2016.07.10
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 input mcf2graph.mf;
 %------------------------------------------------------------------------
@@ -13,19 +13,6 @@ sw_expand:=0;
 sw_start_vector:=0;
 %%%%%sw_checklist:=1;
 %***********************************************************************
-beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5")
-  font_wd#:=80mm#;
-  font_ht#:=30mm#;
-  MCf(<54,
-   {,``1,?5,3\,54,?5,-2\,54,?5,-2\,54,,?5,-2\,&5,
-    -1*,24,/*COOMe^15,72,//O,&1,},
-   4\`1.48,Mg,&17,-1*,&11~vb,-1*,&23~vb,
-   $(2,5,7,9,11,14,16,20,26,27)dl,@(4,11,17,23)N,
-   @(2,9,15,20~zf)/Me,8:/Et,14\,!~dr,
-   21*,-6~wf,!2,//O,!,O,!2,!~dl,|,!13,@(1,5,9,13)/Me,
-  )
-endfont
-%***********************************************************************
 beginfont("EN:Chain 1")
   sw_numberB:=1;
   numberB_end:=6;
@@ -83,7 +70,7 @@ endfont
 %***********************************************************************
 beginfont("EN:change bond 3")
   ratio_chain_ring:=1;
-  MCf(<30,!5,1=bz,$(2,4)dr,@(3~bd^-45`2,5~ov^45`2)/Me)
+  MCf(<30,!3,!`2,!,$(2,4)dr,@(3~bd`2^-30,5~ov^85`3,3~bz`3^-70)/Me)
 endfont
 %***********************************************************************
 beginfont("EN:change bond length1")
@@ -505,25 +492,25 @@ MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N,@(2,6,9)/Me,@(1,5)//O)
 endfont
 %***********************************************************************
 %% Output additional infomation
-beginfont("EN:Tocopherol","CAS:59-02-9")
+beginfont("EN:Tocopherol","CAS:59-02-9","FM:C29H50O2","MW:430.71")
 sw_logout:=1;
 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")
-MCf(<30,Ph,3=?6,10:O,7:/OH,9://O,8\,/Ph`1,60,!,//O,!)
+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")
+beginfont("EN:Ampicillin","CAS:69-53-4","FM:C16H19N3O4S","MW:349.40")
   MCf(<45,
     ?4,2:N,2=?5,-1:S,
     @(3^45,4^-45)/*H,1://O^15,5:/*COOH^-18,@(6^35,6^-35)/Me,
-    4\^75,NH,!,//O,!,NH,!,Ph
+    4*\^75,NH,!,//O,!,/*NH2,!,Ph
    )
 endfont
 %***********************************************************************
-beginfont("EN:Cholesterol")
+beginfont("EN:Cholesterol","CAS:57-88-5","FM:C27H46O","MW:386.65")
   MCf(
     <30,?6,$(-4,-2)?6,-4=?5,7=dl,
       1:*/OH,@(4,12)*/Me^60,9:*/H^60,
@@ -532,20 +519,20 @@ beginfont("EN:Cholesterol")
      )
 endfont
 %***************************************************************************
-beginfont("EN:Colchicine")
+beginfont("EN:Colchicine","CAS:477-27-0","FM:C21H23NO6","MW:385.41")
   MCf(<30,Ph,@(1,2,6)/OMe,|,-4=?7,
-     |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
+     |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OH,
      #9\,NH,!,//O,!)
 endfont
 %***************************************************************************
-beginfont("EN:Lycorine")
+beginfont("EN:Lycorine","CAS:476-28-8","FM:C16H17NO4","MW:287.31")
   MCf(<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
   )
 endfont
 %***********************************************************************
-beginfont("EN:Gibberellin A3");
+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,
@@ -554,17 +541,17 @@ beginfont("EN:Gibberellin A3");
    )
 endfont
 %***************************************************************************
-beginfont("EN:Quinine")
+beginfont("EN:Quinine","CAS:130-95-0","FM:C20H24N2O2","MW:324.42")
   MCf(<30,Ph,3=Ph,7:N,6:/OMe,
     10\,*/OH,/H~zf^-60,!,|,?6,2:N,1:*/H^60,4*\,!~dr,2*,165~zf,60,&5~zb)
 endfont
 %***************************************************************************
-beginfont("EN:Atoropin")
+beginfont("EN:Atoropin","CAS:51-55-8","FM:C17H23NO3","MW:289.37")
   MCf(<-30,O,!,//O,!,!,Ph,
      #1\~zb^-120,|,?7`1.1,6*\^190`1.25,N,/Me,&3~wb,#3\~wv,!,OH)
 endfont
 %***************************************************************************
-beginfont("EN:Paclitaxel")
+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,||,
     @(4^35,4^-35,6)/Me,@(3^-60,15)*/OH,8:/*H^-60,9:*/Me^60,10://O,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 497483dd58b..dbb8d181986 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index bea273959d1..567ca20244c 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,8 +1,9 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual          by  Akira Yamaji 2016.06.11
+%  Molecular Coding Format manual          by  Akira Yamaji 2016.07.10
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
-\usepackage[dvipdfmx]{graphicx}
+\usepackage{graphicx}
+%%%%\usepackage[dvipdfmx]{graphicx}
 %%%%\usepackage[pdftex]{graphicx}
 %%%%\usepackage{epstopdf}
 \topmargin=-18mm
@@ -18,7 +19,7 @@
 \newdimen \gpman%
 \htman=47mm%
 \gpman=4mm%
-\fontnum=1%
+\fontnum=0%
 \tempnum=1%
 %----------------------------------------------------------------------------
 \font\@strufont=mcf_man_soc\relax%
@@ -47,11 +48,10 @@
   \ifx\@tag\@cFM\edef\CALfm{\@var}\fi
 \fi}%
 \def\put@char{%
-  \begin{picture}(120,42)%
-     \put(0,35){\bf [\MOLnum] \MOLnameE}%
-     \put(6,30){\tt MW:\CALmw}%
-     \put(6,25){\tt FM:\CALfm}%
-     \put(40,0){\font\@strufont=\MOLfile\relax%
+  \begin{picture}(84,50)%
+     \put(0,45){\bf [\MOLnum]\MOLnameE}%
+     \put(5,40){\small\tt FM:\CALfm{ }MW:\CALmw}%
+     \put(10,0){\font\@strufont=\MOLfile\relax%
                \hbox{\@strufont\char\MOLchar}}%
   \end{picture}%
 }
@@ -107,28 +107,37 @@ beginfont("NO:2","EN:Cholesterol")                > begin font(information)
 endfont                                                 > end font
 %------------------------------------------------------------------------
 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}%
+\newpage
+%------------------------------------------------------------------------
 \noindent%
-{\bf (Molecular information output)}\\
+{\bf (Molecular information output)}\vspace{2mm}\\
 'filename'-info.aux : for use in \TeX, it takes over filename,
 char number, molecular information,etc.
 \begin{verbatim}
 (sw_auxfix=0)
-F:mcf_man_soc;C:85;cMW:335.37805;cFM:C15H17N3O4S;EN:Ampicillin
+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
   .....................................................
+  .....................................................
 
 (sw_auxfix=1)
 F;C;cMW;cFM;EN
-mcf_man_soc;85;335.37805;C15H17N3O4S;Ampicillin
+mcf_man_soc;85;349.40462;C16H19N3O4S;Ampicillin
 mcf_man_soc;86;386.6532;C27H46O;Cholesterol
   ......................................
+  ......................................
 
 ( tag : variable )
 F : filename   C : char number   NO : serial number   EN : english name
 cMW : molecular weight calculated   cFM : molecular formula calculated
 MW  : molecular weight from literature data
+
 \end{verbatim}
 %----------------------------------------------------------------------------
 {\bf (LaTeX file example)}
@@ -154,28 +163,22 @@ MW  : molecular weight from literature data
   \ifx\@tag\@FMc\edef\CALfm{\@var}\fi
 \fi}%
 \def\put@char{%
-  \begin{picture}(120,45)%
-     \put(10,35){\bf [\MOLnum] \MOLnameE}%
-     \put(16,30){\sf MW:\CALmw}%
-     \put(16,25){\sf FM:\CALfm}%
-     \put(20,0){\font\@strufont=\MOLfile\relax%
+  \begin{picture}(84,42)%
+     \put(0,38){\bf [\MOLnum]\MOLnameE{ }\small\tt/FM:\CALfm/MW:\CALmw}%
+     \put(10,0){\font\@strufont=\MOLfile\relax%
                \hbox{\@strufont\char\MOLchar}}%
-  \end{picture}}%
+  \end{picture}%
 \def\INFO#1{\@for\@temp:=#1\do{\mol@sel\@temp}\put@char}%
 \makeatother
 %--------------------------------------------------------------------
 \begin{document}
 \unitlength=1mm%
-\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\%
+\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}%
 \end{document}
 %--------------------------------------------------------------------
 \end{verbatim}\vspace{5mm}%
 %############################################################################
-{\bf (Molecular structure output)}\\
-\INFO{F:mcf_man_soc,C:85,NO:1,cMW:335.37805,cFM:C15H17N3O4S,EN:Ampicillin}\\%
-\INFO{F:mcf_man_soc,C:86,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
-\newpage
 %----------------------------------------------------------------------------
 \noindent
 %-----------------------------------------------------------------------------
@@ -299,8 +302,8 @@ bz : broad dotted
 ov : over line
 $(2,4)dr : 2=dr,4=dr
 
-  <30,!5,1=bz,$(2,4)dr,
-         @(3~bd^-45`2,5~ov^45`2)/Me
+<30,!3,!`2,!,$(2,4)dr,
+  @(3~bd`2^-30,5~ov`3^85,3~bz`3^-70)/Me
 
 ** 3~bd^-45`2 : ~~bd,^^-45,'`2,3
 \end{verbatim}
@@ -669,8 +672,8 @@ $(3)red :   change color of B3 red
 \end{minipage}
 %%%%\MCFstructure   % for Metafont
 \makebox(72,3.5)[t]{\frame{\makebox(68,42.3)%
-{\includegraphics{mcf_man_soc-031.eps}}}}%  for dvipdfmx
-%%%%{\includegraphics[width=30mm]{mcf_man_soc-031.png}}}}%   for pdfLaTeX
+{\includegraphics{mcf_man_soc-035.eps}}}}%  for dvipdfmx
+%%%%{\includegraphics[width=30mm]{mcf_man_soc-035.png}}}}%   for pdfLaTeX
 \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax%
 \vspace{\gpman}\\
 %-----------------------------------------------------------------------------
@@ -1245,9 +1248,9 @@ mcf_man_soc;88;1;Ampicillin
 \begin{minipage}[t][\htman]{90mm}
 \MCFtitle{Example(2) Colchicine}
 \begin{verbatim}
-  <30,Ph,@(1,2,6)/OMe,|,-4=?7,
-  |,-5=?7,$(-1,-4,-6)dl,-2://O,-3:/OMe,
-  #9\,NH,!,//O,!
+  <30,Ph,@(1,2,6)/OMe,-4=?7,-5=?7,
+  $(-1,-4,-6)dl,-2://O,-3:/OH,
+  9\,NH,!,//O,!
 \end{verbatim}
 \end{minipage}
 \MCFstructure
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 f10f5040e36..39f0f2fe7ec 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index ccff8ecd160..06e221df212 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.94     Copyright (c) 2013-2016   Akira Yamaji
+% mcf2graph ver 3.95     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  2016.6";
+message " This is mcf2graph ver 3.9  2016.7";
 %-------------------------------------------------------------------------------------------------
 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[],
@@ -50,6 +50,7 @@ aux_delimiter:=";";  var1:="jobname";  tag1:="F";  var2:="char_num"; tag2:="C";
 for i=3 upto aux_max: var[i]:=tag[i]:=""; endfor
 %-------------------------------------------------------------------------------------------------
 if known green:  f_MP:=1;
+  color color_list[];
   mp_log_name:=jobname&"-info.aux";
   if     ahlength=1: proc_end:=1;  fi                          % first molecular only
   if     ahlength=2: sw_checklist:=1; def shipit = enddef; fi  % checklist on
@@ -59,15 +60,17 @@ if known green:  f_MP:=1;
   elseif ahangle=3: sw_MOLout:=1; def shipit = enddef;         % MDL Molefile on
   fi
   outputtemplate:="%j-%3c."&outputformat;
-  def beginchar(text s)= beginfig(char_num) enddef; def endchar = endfig enddef;
-  vardef mp_filename = jobname&"-"&fit_zero(char_num)&decimal(char_num)&"."&outputformat enddef;
+  def beginchar(text s)= beginfig(char_num) enddef;
+  def endchar = endfig enddef;
   def printf expr s= write s to mp_log_name enddef;
-  ahangle:=45; ahlength:=4; def # = enddef; color color_list[];
+  def # = enddef;
   def Cp(expr s) = if known s: if s<>0: withcolor color_list[s] fi fi enddef;
   def define_pixels(text s) = enddef;
 else: f_MP:=0;
   def Cp(expr s) = enddef; def color = transform enddef;
-  mode_setup; def printf expr s= message s enddef; def mp_filename= "" enddef; fi
+  mode_setup; def printf expr s= message s enddef;
+fi
+ahangle:=45; ahlength:=4;
 clearit;  chem_structure:=currentpicture;
 %-------------------------------------------------------------------------------------------------
 let DIV= /; let MUL= *; let LT= <; let GT= >; let AND= &; let :: = : ; let == = =;
@@ -351,7 +354,8 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)=
         else: for i=1 upto 4: proc_skeleton; scaling; resize(RW,RH); size_setup; endfor fi fi
   font_setup;
   if sw_subst_off=1: cntA:=cntA_skeleton; cntB:=cntB_skeleton; fi
-  for i=1 upto cntB: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); endfor
+  for i=1 upto cntB: if lineB[i]<>ov: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
+  for i=1 upto cntB: if lineB[i]=ov:  draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
   for i=1 upto cntA:
     if (sw_numberA>=1)and(i>=numberA_start)and(i<=numberA_end):
        if     sw_numberA=2: nA:=i-numberA_start+1;
@@ -792,7 +796,7 @@ def mol_check=
     if com_str[strA[i]]="": com_str[strA[i]]:="C"; fi
     if com_str[strA[i]]="C": if nA<4: hide_H:=hide_H+(4-nA); fi fi
     B_check(i)("C")(4); B_check(i)("H")(1);    B_check(i)("O")(2);
-    B_check(i)("F")(1); B_check(i)("{Cl}")(1); B_check(i)("{Br}")(1);
+    B_check(i)("F")(1); B_check(i)("{Cl}")(1); B_check(i)("Br}")(1);
     for j=1 upto tbl_cnt:
       if com_str[strA[i]]=tblA[j]:
         if tblN[j]=0: sumA[j]:=sumA[j]+1;