mcf2graph (15oct16)

git-svn-id: svn://tug.org/texlive/trunk@42264 c570f23f-e606-0410-a88d-b1316a301751

10 files changed, 326 insertions, 182 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 7017a9dbaca..9c09903a52f 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 2016-10-10
+ Changelog of mcf2graph software package        by Akira Yamaji 2016-10-14
 *******************************************************************************
+[ver. 3.99  / 2016-10-14]
+  -miner update
+  -update MCF syntax manual
+   fixed page number of contents
+
 [ver. 3.98  / 2016-10-10]
   -add option parameter sw_clip (clipping font)
   -add max_bond_length , delete max_bond_width
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 2428acd155a..8e6448d57bc 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    : 3.98 2016-10-10
+ version    : 3.99 2016-10-14
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
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 22599e08a44..95bb5c69b2a 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  2016.10.10
+% Molecular Coding Format for mcf_example.tex  by Akira Yamaji  2016.10.12
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 input mcf2graph.mf;   %%% it must be version 3.98 or later
 %-------------------------------------------------------------------------
@@ -9,8 +9,8 @@ font_ht#:=24mm#;
 sw_auxout:=1;
 sw_font_frame:=0;
 sw_atom_frame:=0;
-sw_expand:=0;
 sw_start_vector:=0;
+%%%% sw_expand:=1;
 var3:="cal_FM";  tag3:="cFM";
 var4:="cal_MW";  tag4:="cMW";
 %%%% outputtemplate:="%3c-%j.png";
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 5a8b1f1bd5a..44b8054eb16 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_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
index be0c4751b1b..c87fb0ac718 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 2016.10.10
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2016.10.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 input mcf2graph.mf;   %% it must be version 3.98 or later
 %------------------------------------------------------------------------
@@ -11,10 +11,8 @@ sw_start_vector:=0;
 %***********************************************************************
 font_wd#:=35mm#;
 font_ht#:=25mm#;
-margin_left_right:=2mm;
-\max_bond_length#:=10mm#;
-ratio_thickness_bond:=0.04;
-ratio_atom_bond:=0.5;
+bond_len#:=6mm#;
+sw_solid:=1;
 %***********************************************************************
 beginfont("EN:Glycine")
   MCf(<30,NH2,!0,!,COOH)
@@ -98,8 +96,11 @@ endfont
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 font_wd#:=60mm#;
 font_ht#:=35mm#;
+bond_len#:=8mm#;
+max_bond_length#:=10mm#;
 ratio_thickness_bond:=0.015;
 ratio_atom_bond:=0.36;
+sw_solid:=0;
 sw_font_frame:=1;
 margin_left_right:=2mm;
 margin_top_bottom:=1mm;
@@ -158,14 +159,14 @@ beginfont("EN:branch1")
 endfont
 %***********************************************************************
 beginfont("EN:branch2")
-  font_ht#:=23mm#;
+  font_ht#:=20mm#;
   margin_top_bottom:=2mm;
   sw_clip:=1;
   sw_numberA:=1;
   numberA_end:=7;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
-  MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60)
+  MCf(<-30,!6,2\~dr,!,4\`1.5,-90,6\^15,-60)
 endfont
 %***********************************************************************
 beginfont("EN:Connect atom")
@@ -197,8 +198,8 @@ beginfont("EN:rotate 1")
 endfont
 %***********************************************************************
 beginfont("EN:change bond 1")
-  font_wd#:=70mm#;
-  font_ht#:=15mm#;
+  font_ht#:=12mm#;
+  bond_len#:=8mm#;
   sw_clip:=1;
   ratio_chain_ring:=1;
   margin_top_bottom:=3mm;
@@ -206,8 +207,8 @@ beginfont("EN:change bond 1")
 endfont
 %***********************************************************************
 beginfont("EN:change bond 2")
-  font_wd#:=70mm#;
-  font_ht#:=15mm#;
+  font_ht#:=12mm#;
+  bond_len#:=8mm#;
   margin_top_bottom:=3mm;
   sw_clip:=1;
   ratio_chain_ring:=1;
@@ -216,6 +217,7 @@ endfont
 %***********************************************************************
 beginfont("EN:change bond 3")
   font_ht#:=12mm#;
+  bond_len#:=8mm#;
   margin_top_bottom:=3mm;
   sw_clip:=1;
   ratio_chain_ring:=1;
@@ -223,14 +225,26 @@ beginfont("EN:change bond 3")
 endfont
 %***********************************************************************
 beginfont("EN:change bond 3")
-  font_wd#:=70mm#;
+  font_ht#:=12mm#;
+  bond_len#:=8mm#;
   sw_clip:=1;
   ratio_chain_ring:=1;
   margin_top_bottom:=3mm;
-  MCf(<30,!7,1=dt,3=wv,5=bd,7=bz)
+  MCf(<30,!3,1=dt,3=wv)
 endfont
 %***********************************************************************
 beginfont("EN:change bond 4")
+  font_ht#:=12mm#;
+  bond_len#:=8mm#;
+  sw_clip:=1;
+  ratio_chain_ring:=1;
+  margin_top_bottom:=3mm;
+  MCf(<30,!3,1=bd,3=bz)
+endfont
+%***********************************************************************
+beginfont("EN:change bond 5")
+  font_ht#:=12mm#;
+  bond_len#:=8mm#;
   margin_top_bottom:=3mm;
   sw_clip:=1;
   ratio_chain_ring:=1;
@@ -245,21 +259,23 @@ beginfont("EN:over line")
 endfont
 %***********************************************************************
 beginfont("EN:change bond length1")
-  font_ht#:=15mm#;
+  font_ht#:=12mm#;
   sw_numberB:=1;
   MCf(<30,!2,!2`1.2,!2)
 endfont
 %***********************************************************************
 beginfont("EN:change bond length2")
-  font_ht#:=15mm#;
+  font_ht#:=12mm#;
   sw_numberB:=1;
   MCf(<30,!2,``1.2,!4)
 endfont
 %***********************************************************************
 beginfont("EN:change ring length")
-  font_ht#:=25mm#;
+  margin_top_bottom:=2mm;
+  font_ht#:=15mm#;
   sw_clip:=1;
-  MCf(?6,4\,?6`1.2,5=?6,11=?6)
+  sw_numberB:=1;
+  MCf(?6,4\,?6`1.2)
 endfont
 %***********************************************************************
 beginfont("EN:Insert atom")
@@ -315,6 +331,14 @@ beginfont("EN:fused ring")
   MCf(<30,?6,3=?6,$(3)dt,$(7,8,9,10,11)bd)
 endfont
 %-----------------------------------------------------------------------
+beginfont("EN:change ring length")
+  margin_top_bottom:=2mm;
+  font_ht#:=25mm#;
+  sw_clip:=1;
+  sw_numberB:=1;
+  MCf(?6,4\,?6`1.2,5=?6,11=?6,$(14,15,16,17,18,19,20,21,22,23)bd,$(5,11)dt)
+endfont
+%-----------------------------------------------------------------------
 beginfont("EN:fused large 6 ring")
   font_ht#:=18mm#;
   margin_top_bottom:=1.5mm;
@@ -373,9 +397,9 @@ beginfont("EN:substituent 1")
 endfont
 %***********************************************************************
 beginfont("EN:substituent 2")
-  font_ht#:=20mm#;
+  font_ht#:=15mm#;
   sw_clip:=1;
-  MCf(<30,!,//O,!,/*H,!,*/H,!,**?3,!)
+  MCf(<-30,!,//O,!2,/*H,!2,*/H,!2,**?3,!)
 endfont
 %***********************************************************************
 beginfont("EN:substituent 3")
@@ -386,12 +410,12 @@ endfont
 %***********************************************************************
 beginfont("EN:substituent 3")
   font_wd#:=70mm#;
-  font_ht#:=22mm#;
+  font_ht#:=18mm#;
   margin_top_bottom:=2mm;
   sw_numberA:=1;
   sw_clip:=1;
-  numberA_end:=18;
-  MCf(<-30,!17,2:/Me,4:/Et,6:/Pr,10:/iPr,14:/tBu,16:/Ph^-30)
+  numberA_end:=17;
+  MCf(<-30,!16,2:/Me,4:/Et,6:/Pr,10:/iPr,14:/tBu,16:/Ph^-60)
 endfont
 %***********************************************************************
 beginfont("EN:substituent 4")
@@ -453,27 +477,36 @@ beginfont("EN:Change color")
 endfont
 %***********************************************************************
 beginfont("EN:Make brock")
-  font_ht#:=20mm#;
+  font_ht#:=8mm#;
   sw_clip:=1;
   sw_numberB:=1;
   MCf(<30,!2,{,``1.2,!2,},!2)
 endfont
 %***********************************************************************
 beginfont("EN:Chain start multi characters")
-  font_ht#:=20mm#;
-  MCd(1,1)( 0,1)(<30,COOH,!0,!5,COOH)
-  MCd(.8,1)(.3,0)(<30,COOH,!6,COOH)
+  font_ht#:=9mm#;
+  sw_clip:=1;
+  sw_solid:=1;
+  MCf(<30,COOH,!0,!5,COOH)
+endfont;
+beginfont("EN:not good")
+  font_ht#:=9mm#;
+  margin_left_right:=5mm;
+  sw_solid:=1;
+  sw_clip:=1;
+  MCf(<30,COOH,!6,COOH)
 endfont;
 %***********************************************************************
 beginfont("EN:User definition")
-  font_ht#:=18mm#;
+  font_ht#:=15mm#;
+  sw_clip:=1;
   iBuOH:='(!,/Me,!,OH);
   MCf(<30,?6,@(4,6)/iBuOH)
 endfont
 %***********************************************************************
 beginfont("EN:Inline definition")
-  font_ht#:=18mm#;
-  margin_left_right:=5mm;
+  font_ht#:=15mm#;
+  margin_left_right:=2mm;
   sw_clip:=1;
   MCf(<30,!3,/'(!,/Me,!,OH),!3)
 endfont
@@ -711,7 +744,7 @@ endfont
 beginfont("EN:Switwch atom frame")
   font_ht#:=15mm#;
   sw_atom_frame:=1;
-  MCf(<30,Ph,4:/COOH,3:/OH)
+  MCf(<30,Ph,1:/Cl,4:/COOH,3:/OH)
 endfont
 %***********************************************************************
 beginfont("EN:Switwch clipping")
@@ -761,7 +794,7 @@ endfont
 %***********************************************************************
 sw_clip:=1;
 %% Output molecular infomation
-beginfont()
+beginfont("EN:Caffeine","FM:C8H10N4O2","MW:194.19")
   font_ht#:=15mm#;
   sw_logout:=sw_info_weight:=sw_info_formula:=1;
   MCf(<30,?6,-4=?5,$(3,8)dl,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 5ee5007340c..d2a37baa124 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 265c66c9d8a..cb9ea163a93 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 2016.10.10
+%  Molecular Coding Format manual          by  Akira Yamaji 2016.10.13
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 %%%%\usepackage{graphicx}
@@ -45,9 +45,9 @@
   \ifx\@tag\@cFM\edef\CALfm{\@var}\fi
 \fi}%
 \def\put@char{%
-  \begin{picture}(84,30)%
-     \put(0,25){\bf [\MOLnum]\MOLnameE}%
-     \put(5,20){\small\tt FM:\CALfm{ }MW:\CALmw}%
+  \begin{picture}(84,28)%
+     \put(0,23){\bf [\MOLnum]\MOLnameE}%
+     \put(5,18){\small\tt FM:\CALfm{ }MW:\CALmw}%
      \put(5,0){\font\@strufont=\MOLfile\relax%
                \hbox{\@strufont\char\MOLchar}}%
   \end{picture}%
@@ -146,7 +146,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 
   <-30,!6,
   2\~dr,!,
-  4\`1.5,!,
+  4\`1.5,-90,
   6\^15,-60
 \end{verbatim}
 \MCFstructure
@@ -208,15 +208,22 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
-\subsubsection{Dotted,wave,broad}
+\subsubsection{Dotted,wave}
 \begin{verbatim}
   Bn=bond type : change bond type at Bn
   dt : dotted
   wv : wave
+
+  <30,!3,1=dt,3=wv
+\end{verbatim}
+\MCFstructure
+%-----------------------------------------------------------------------------
+\subsubsection{Broad}
+\begin{verbatim}
   bd : broad
   bz : broad dotted 
 
-  <30,!7,1=dt,3=wv,5=bd,7=bz
+  <30,!3,1=bd,3=bz
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -225,8 +232,6 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
   $(2,4,6)dr : 2=dr,4=dr,6=dr
 
   <30,!7,$(2,4,6)dr
-
-  ** <30,!7,2=dr,4=dr,6=dr
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -264,10 +269,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \begin{verbatim}
   ?n`length : change ring length
 
-  ?6,4\,?6`1.2,5=?6,11=?6
-
-  ** fused ring size depend on 
-   attached bond length
+  ?6,4\,?6`1.2
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -334,6 +336,14 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \MCFstructure
 %-----------------------------------------------------------------------------
 \begin{verbatim}
+  ** fused ring size depend on 
+  attached bond length
+
+  ?6,4\,?6`1.2,5=?6,11=?6
+\end{verbatim}
+\MCFstructure
+%-----------------------------------------------------------------------------
+\begin{verbatim}
   ?6,3=?6[13] : fuse ?6[13] at B3
   ?6[13]: 6 membered ring scaled 13/10
   ** ?m[n] (5<=m<=8,11<=n<=15)
@@ -430,7 +440,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \subsubsection{Add substituent}
 \begin{verbatim}
   <-30,!17,2:/Me,4:/Et,6:/Pr,
-   10:/iPr,14:/tBu,16:/Ph^-30
+   10:/iPr,14:/tBu,16:/Ph^-60
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -438,14 +448,16 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \begin{verbatim}
   ~,^,` : change type,angle,length
 
-  <-30,!6,@(2~wf,4~zf,6^-30)/H
+  <-30,!6,
+  @(2~wf,4~zf,6^-30)/H
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
 \begin{verbatim}
   ^,`,> : change angle,length,environment
 
-  <30,!7`1,@(3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl
+  <30,!7`1,
+  3:/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -497,10 +509,9 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \begin{verbatim}
   @(5)green : change color of A5 green
   $(3)red :   change color of B3 red
+  **  METAFONT ignore color command
 
   <30,Ph,@(2,5)N,2:red,5:blue,3=green
-
-  **  METAFONT ignore color command
 \end{verbatim}
 %%%%\MCFstructure   % for Metafont
 \includegraphics{mcf_man_soc-060.eps}%  for dvipdfmx
@@ -520,9 +531,11 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
   if chain start multi charactor string,
   use !0 instead of !
 
-  MCd( 1,1)(0  ,0.9)(<30,COOH,!0,!3,COOH)
-
-  MCd(.8,1)(0.3,0.1)(<30,COOH,!4,COOH)
+  MCf(<30,COOH,!0,!3,COOH)
+\end{verbatim}
+\MCFstructure
+\begin{verbatim}
+  MCf(<30,COOH,!4,COOH)
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -779,7 +792,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 \subsubsection{Atom frame}
 \begin{verbatim}
   sw_atom_frame:=1;
-  MCf(<30,Ph,4:/COOH,3:/OH)
+  MCf(<30,Ph,1:/Cl,4:/COOH,3:/OH)
   ** default: sw_atom_frame=0
 \end{verbatim}
 \MCFstructure
@@ -1016,7 +1029,7 @@ F:mcf_man_soc/C:90/EN:Ampicillin/CAS:69-53-4
 %-----------------------------------------------------------------------------
 \onecolumn%
 \section{Example to use mcf2graph}
-\subsection{Molecular definition file example}
+\subsection{Molecular definition file}
 \begin{verbatim}
 %-------------------------------------------------------------------------
 input mcf2graph.mf;                               % input macro
@@ -1026,14 +1039,6 @@ font_wd#:=60mm#;      % font width                      >
 font_ht#:=40mm#;      % font height                     >
 var3:="cal_MW"; tag3:="cMW";                            > AUX file table
 var4:="cal_FM"; tag4:="cFM";                            >
-%%%% var5:="cal_MW";  tag5:="cMW";                      >
-%%%% var6:="cal_FM";  tag6:="cFM";                      >
-%%%% var7:="inf_USE"; tag7:="USE";                      >
-%%%% var8:="inf_EXA"; tag8:="EXA";                      >
-%%%% var9:="inf_EXB"; tag9:="EXB";                      >
-%%%% auxtag_out;                                        >
-%%%% sw_checklist:=1;                                   >
-%%%% sw_MOLout:=1;                                      >
 outputformat:="png"; hppp:=vppp:=0.1;                   > PNG output
 outputtemplate:="%j-%3c.png";                           >
 %-------------------------------------------------------------------------
@@ -1054,15 +1059,18 @@ endfont                                                 > end font
 bye
 \end{verbatim}
 %------------------------------------------------------------------------
-\subsection{Molecular structure output example}
-\INFO{F:mcf_man_soc,C:100,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:101,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
-\newpage
-%------------------------------------------------------------------------
 \noindent%
-\subsection{Molecular information output example}
-'filename'-info.aux : for use in \TeX, it takes over filename,
-char number, molecular information,etc.
+\subsection{Information auxfile output}
+\paragraph{(Insert option parameter setting)}
+\begin{verbatim}
+  sw_auxout:=1;
+  ** default : sw_auxout=0
+\end{verbatim}
+\paragraph{(Command line)}
+\begin{verbatim}
+  >mpost -s ahangle=0 FILENAME (molecular difinition file)
+\end{verbatim}
+\paragraph{(Output)}
 \begin{verbatim}
 (sw_auxfix=0)
 F:mcf_man_soc;C:109;cMW:349.40462;cFM:C16H19N3O4S;EN:Ampicillin
@@ -1082,8 +1090,122 @@ 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}
+%------------------------------------------------------------------------
+\newpage
+\noindent%
+\subsection{Checklist output}
+\paragraph{(Insert option parameter setting)}
+\begin{verbatim}
+  sw_checklist:=1;
+  ** default : sw_checklist=0
+\end{verbatim}
+\paragraph{(Command line)}
+\begin{verbatim}
+  >mpost -s ahangle=0 -s ahlength=2 FILENAME (molecular difinition file)
+\end{verbatim}
+\paragraph{(Output)}
+\begin{verbatim}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% Molecular name = Caffeine
+%  There were   0 warnings / Expanded command count= 75
+%  width * height = 39.54677 * 36.84769
+%  Shift width * height  = -9.33592 * -12.77518
+%  Bond length = 9.23628   Atom size   = 4.12209
+%  Atom count= 14 Bond count= 15 Ring count=  2 Hide H = 10
+%-----------------------------------< atom >< bond >-------
+%    1  (         0 ) (         0 )  C           4
+%    2  (   0.86603 ) (      -0.5 )  N           3
+%    3  (   1.73206 ) (         0 )  C           4
+%    4  (   1.73206 ) (         1 )  C           4
+%    5  (   0.86603 ) (       1.5 )  C           4
+%    6  (         0 ) (         1 )  N           3
+%    7  (    2.6831 ) (  -0.30902 )  N           3
+%    8  (   3.27089 ) (       0.5 )  C           3
+%    9  (    2.6831 ) (   1.30902 )  N           3
+%   10  (   0.86603 ) (  -1.38315 )  C           1
+%   11  (  -0.78764 ) (   1.45474 )  C           1
+%   12  (   2.95923 ) (   2.15886 )  C           1
+%   13  (  -0.78764 ) (  -0.45474 )  O           2
+%   14  (   0.86603 ) (   2.38315 )  O           2
+%Bond list---------------------------------------------------------
+%   1   1 ->   2 (  1)
+%   2   2 ->   3 (  1)
+%   3   3 ->   4 (  2)
+%   4   4 ->   5 (  1)
+%   5   5 ->   6 (  1)
+%   6   6 ->   1 (  1)
+%   7   3 ->   7 (  1)
+%   8   7 ->   8 (  2)
+%   9   8 ->   9 (  1)
+%  10   9 ->   4 (  1)
+%  11   2 ->  10 (  1)
+%  12   6 ->  11 (  1)
+%  13   9 ->  12 (  1)
+%  14   1 ->  13 (  2)
+%  15   5 ->  14 (  2)
+%Fomula / Molecular weight ---------------------------------------
+% C   (  12.0107) *      8 =     96.08557
+% H   (  1.00793) *     10 =     10.07935
+% N   (  14.0067) *      4 =      56.0268
+% O   (  15.9994) *      2 =     31.99881
+% Weight  Calc:  194.19052 / Input: 194.19 / weight gap= 0.00052
+% Fomula  Calc: C8H10N4O2 / Input: C8H10N4O2 / MACTCH
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\end{verbatim}%
+\newpage
+%------------------------------------------------------------------------
+\noindent%
+\subsection{Molfile output}
+\paragraph{(Insert option parameter setting)}
+\begin{verbatim}
+  sw_MOLout:=1;
+  ** default : sw_MOLout=0
+\end{verbatim}
+\paragraph{(Command line)}
+\begin{verbatim}
+  >mpost -s ahangle=3  FILENAME (molecular difinition file)
+\end{verbatim}
+\paragraph{(Output)}
+\begin{verbatim}
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+  -MCFtoMOL- EN:Caffeine         
+
+ 14 15  0  0  0  0  0  0  0  0999 V2000
+         0         0         0 C   0  0  0  0
+   0.86603      -0.5         0 N   0  0  0  0
+   1.73206         0         0 C   0  0  0  0
+   1.73206         1         0 C   0  0  0  0
+   0.86603       1.5         0 C   0  0  0  0
+         0         1         0 N   0  0  0  0
+    2.6831  -0.30902         0 N   0  0  0  0
+   3.27089       0.5         0 C   0  0  0  0
+    2.6831   1.30902         0 N   0  0  0  0
+   0.86603  -1.36383         0 C   0  0  0  0
+  -0.76894   1.44394         0 C   0  0  0  0
+  -0.76894  -0.44394         0 O   0  0  0  0
+   0.86603   2.36383         0 O   0  0  0  0
+   2.95299    2.1396         0 C   0  0  0  0
+  1  2  1  0     0  0
+  2  3  1  0     0  0
+  3  4  2  0     0  0
+  4  5  1  0     0  0
+  5  6  1  0     0  0
+  6  1  1  0     0  0
+  3  7  1  0     0  0
+  7  8  2  0     0  0
+  8  9  1  0     0  0
+  9  4  1  0     0  0
+  2 10  1  0     0  0
+  6 11  1  0     0  0
+  1 12  2  0     0  0
+  5 13  2  0     0  0
+  9 14  1  0     0  0
+M  END
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+\end{verbatim}%
+\newpage
 %----------------------------------------------------------------------------
-\subsection{LaTeX file example}
+\subsection{\LaTeX file example}
 %############################################################################
 \begin{verbatim}
 %--------------------------------------------------------------------
@@ -1116,10 +1238,14 @@ MW  : molecular weight from literature data
 %--------------------------------------------------------------------
 \begin{document}
 \unitlength=1mm%
-\INFO{F:mcf_man_soc,C:100,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:101,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:103,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:104,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
 \end{document}
 %--------------------------------------------------------------------
 \end{verbatim}%
 %############################################################################
+%------------------------------------------------------------------------
+\INFO{F:mcf_man_soc,C:103,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:104,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+%------------------------------------------------------------------------
 \end{document}
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 05421a5721f..cac18e1243e 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/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
index c8115e7b59b..c69c8f8077b 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji   2016.10.10
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji   2016.10.12
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 3.98 or later
+%%% mcf2graph.mf it must be version 3.99 or later
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index bca5145d9b3..10fdeaad35a 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 3.98     Copyright (c) 2013-2016   Akira Yamaji
+% mcf2graph ver 3.99     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 4.0  2016.10";
+message " This is mcf2graph ver 3.9  2016.10";
 %-------------------------------------------------------------------------------------------------
 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[],
@@ -60,7 +60,7 @@ 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 beginchar(expr a,b,c,d)= beginfig(char_num) w:=b*pt; h:=c*pt; enddef;
   def endchar = endfig enddef;
   def printf expr s= write s to mp_log_name enddef;
   def # = enddef;
@@ -97,76 +97,80 @@ def parameter_list=
   sw_checklist,sw_numberA,sw_numberB,sw_mol_frame,sw_auxout,sw_solid,sw_expand,sw_MOLout,
   sw_start_vector,sw_atom_frame,sw_font_frame,sw_subst_off,sw_bond_single,sw_clip,
   margin_left_right,margin_top_bottom,ratio_atom_bond,ratio_thickness_bond,ratio_char_bond,
-  ratio_chain_ring,offset_atom#,max_bond_width,ratio_bondgap_bond,ratio_zebra_black,
-  ratio_zebragap_bond,ratio_wedge_bond,ratio_atomgap_atom,bond_len#,
-  offset_wedge#,max_bond_length#,offset_zebra_gap#,offset_bond_gap#,thickness_font_frame#,
-  offset_thickness#,numberA_start,numberA_end,numberB_start,numberB_end
+  ratio_chain_ring,max_bond_width,ratio_bondgap_bond,ratio_zebra_black,ratio_zebragap_bond,
+  ratio_wedge_bond,ratio_atomgap_atom,bond_len#,offset_atom#,offset_wedge#,max_bond_length#,
+  offset_zebra_gap#,offset_bond_gap#,thickness_font_frame#,offset_thickness#,
+  numberA_start,numberA_end,numberB_start,numberB_end
 enddef;
 %-------------------------------------------------------------------------------------------------
 nA:=0; for list=parameter_list: stock_p[incr nA]:=list; endfor
 def store_par(text t)=
   nA:=0; for list=t: if stock_p[incr nA]<>list: stock_p[nA]:=list; fi endfor enddef;
 def restore_par(text t)=  nA:=0;
-  forsuffixes list=t: if list<>stock_p[incr nA]: list:=stock_p[nA]; fi endfor
-enddef;
+  forsuffixes list=t: if list<>stock_p[incr nA]: list:=stock_p[nA]; fi endfor enddef;
 %-------------------------------------------------------------------------------------------------
 def beginfont(text s)=
   inf_EN:=inf_JN:=inf_FM:=inf_CAS:=inf_USE:=inf_EXA:=inf_EXB:=""; inf_MW:="0";
   len_x:=len_y:=cntA:=inf_num:=f_beginchar:=0;
-  store_par(parameter_list); save_wd#:=font_wd#; save_ht#:=font_ht#;
-  ratio_bond_width:=0.025;
-  clearit;
+  store_par(parameter_list);
+  save_wd#:=font_wd#; save_ht#:=font_ht#;
   for list=s:
     inf_num:=inf_num+1; info[inf_num]:=list;
     nA:=0; for i=0 upto length(list): if pic_c(i,list)=":": nA:=i; fi exitif nA>0; endfor
     if nA>0:
       s_tag:=substring (0,nA) of list; s_var:=substring (nA+1,length(list)) of list;
-      if     s_tag="NO": inf_NO:=s_var;    elseif s_tag="MW": inf_MW:=s_var;
-      elseif s_tag="EN": inf_EN:=s_var;    elseif s_tag="JN": inf_JN:=s_var;
+      if     s_tag="NO": inf_NO:=s_var;    elseif s_tag="MW":  inf_MW:=s_var;
+      elseif s_tag="EN": inf_EN:=s_var;    elseif s_tag="JN":  inf_JN:=s_var;
       elseif s_tag="FM": inf_FM:=s_var;    elseif s_tag="CAS": inf_CAS:=s_var;
       elseif s_tag="USE": inf_USE:=s_var;  elseif s_tag="EXA": inf_EXA:=s_var;
-      elseif s_tag="EXB": inf_EXB:=s_var;
-      fi
+      elseif s_tag="EXB": inf_EXB:=s_var;  fi
     fi
   endfor
+  clearit;
 enddef;
 %-------------------------------------------------------------------------------------------------
 def endfont=
-  if     (sw_font_frame=1)or(sw_font_frame=3):
-     AUX(0,0)(draw_frame(font_wd,font_ht,(0,0),thickness_font_frame);) fi
+  if (sw_font_frame=1)or(sw_font_frame=3):
+     AUX(0,0)(draw_frame(w,h,(0,0),thickness_font_frame);) fi
   if (sw_font_frame=2)or(sw_font_frame=3):
-     AUX(0,0)(draw_frame(font_wd-2margin_left_right,font_ht-2margin_top_bottom,
+     AUX(0,0)(draw_frame(w-2margin_left_right,h-2margin_top_bottom,
              (margin_left_right,margin_top_bottom),thickness_font_frame);)  fi
-  if sw_font_frame=4: AUX(0,0)(draw_corner(font_wd,font_ht,thickness_font_frame);) fi
+  if sw_font_frame=4: AUX(0,0)(draw_corner(w,h,thickness_font_frame);) fi
   if (sw_auxout=1)or(sw_checklist=1)or(sw_MOLout=1): mol_check; fi
   if sw_auxout=1:    auxfile_out; fi
   if sw_checklist=1: checklist_out; fi
   if sw_MOLout=1:   MOLfileout; fi
-  if f_beginchar=1:
-     char_num:=char_num+1; currentpicture:=chem_structure; chem_structure:=nullpicture;
-     endchar; fi
+  char_num:=char_num+1; currentpicture:=chem_structure; chem_structure:=nullpicture; endchar;
   restore_par(parameter_list); font_wd#:=save_wd#; font_ht#:=save_ht#;
   if proc_end=1: scantokens("bye"); fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def size_setup=
-  if sw_solid=0: bond_len#:=font_wd#*ratio_bond_width; fi
-  wedge_wd#  := ratio_wedge_bond*bond_len#+offset_wedge#;
-  zebra_gap# := ratio_zebragap_bond*bond_len#+offset_zebra_gap#;
-  if (ratio_atom_bond*bond_len#+offset_atom#)<.8bond_len#:
-    atom_wd#:=ratio_atom_bond*bond_len#+offset_atom#;
-  else:
-    atom_wd#:=.8bond_len#; ratio_chain_ring:= .5;
-  fi
-  gap#:= ratio_bondgap_bond*bond_len#+offset_bond_gap#;
-  bond_pen_wd# := ratio_thickness_bond*bond_len#+offset_thickness#;
-  char_pen_wd# := ratio_char_bond*bond_pen_wd#;
-  define_pixels(bond_len,zebra_gap,wedge_wd,atom_wd,gap,bond_pen_wd,char_pen_wd,
-                font_wd,font_ht,thickness_font_frame);
-  font_size_setup;
+def char_size_set(expr a)(expr b)(expr c)(expr s)=
+  for j=0 upto length(s)-1: nA:=ASCII(pic_c(j,s));
+    if f_FON[nA]=1: atom_w[nA]#:=atom_wd#*a; atom_h[nA]#:=atom_wd#*b; atom_d[nA]#:=atom_wd#*c;
+                    define_pixels(atom_w[nA],atom_h[nA],atom_d[nA]);  fi
+  endfor
 enddef;
 %-------------------------------------------------------------------------------------------------
-def scaling=
+def mol_size_setup=
+  if (bond_len#*ratio_atom_bond+offset_atom#)<.8bond_len#:
+        atom_wd#:=bond_len#*ratio_atom_bond+offset_atom#;
+  else: atom_wd#:=.8bond_len#; ratio_chain_ring:= .5; fi
+  wedge_wd#:=    bond_len#*ratio_wedge_bond+offset_wedge#;
+  zebra_gap#:=   bond_len#*ratio_zebragap_bond+offset_zebra_gap#;
+  bondgap#:=     bond_len#*ratio_bondgap_bond+offset_bond_gap#;
+  bond_pen_wd#:= bond_len#*ratio_thickness_bond+offset_thickness#;
+  char_pen_wd#:= bond_pen_wd#*ratio_char_bond;
+  define_pixels(bond_len,zebra_gap,wedge_wd,atom_wd,bondgap,bond_pen_wd,char_pen_wd);
+  char_size_set( 1)( 1)(  0)("CGHMNOQ");
+  char_size_set(.9)( 1)(  0)("ABDEFIJKLPRSTUVWXYZ-+/><m");
+  char_size_set(.7)( 1)(  0)(" ()0123456789nhj=*bdiltf");
+  char_size_set(.7)( 1)(.15)("pqg");
+  char_size_set(.7)(.8)(  0)("acekosuvxzwry");
+  char_size_set(.4)( 1)(  0)(".,:;'`");
+enddef;
+%-------------------------------------------------------------------------------------------------
+def mol_scaling=
 min_x:=min_y:= 4095.999; max_x:=max_y:=-4095.999;
 for i=1 upto cntA: xpos:=xpart(posA[i]); ypos:=ypart(posA[i]);
   if strA[i]<>0: str_len:=nC:=num_d:=0;
@@ -189,18 +193,13 @@ for i=1 upto cntA: xpos:=xpart(posA[i]); ypos:=ypart(posA[i]);
  len_x:=max_x-min_x; len_y:=max_y-min_y;
 enddef;
 %-------------------------------------------------------------------------------------------------
-def resize(expr WD,HT)=
-  if (len_y/len_x)>(font_ht/font_wd):
-    factor:=(font_ht*HT-2margin_top_bottom)/len_y;
-  else:
-    factor:=(font_wd*WD-2margin_left_right)/len_x;
-  fi
-  ratio_bond_width:=ratio_bond_width*factor;
-  len_x:=len_x*factor; len_y:=len_y*factor;
+def mol_resize(expr WD,HT)=
+  if (len_y/len_x)>(font_ht/font_wd): factor:=(font_ht*HT-2margin_top_bottom)/len_y;
+  else:                               factor:=(font_wd*WD-2margin_left_right)/len_x;  fi
 enddef;
 %-------------------------------------------------------------------------------------------------
 for i=1 upto 128: f_FON[i]:=0; endfor  asc0:=ASCII("0"); asc9:=ASCII("9");
-def font_use_check=
+def char_use_check=
   for i=1 upto 128: if f_FON[i]<>0: f_FON[i]:=0; fi endfor
     if (sw_numberA>=1)or(sw_numberB>=1): for j=asc0 upto asc9: f_FON[j]:=1; endfor
     else: for i=1 upto cntA: if strA[i]<>0: for j=0 upto length(com_str[strA[i]])-1:
@@ -384,32 +383,25 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)=
   if (sw_expand=1)or(sw_MOLout=1): expand_set; fi
   ''(0)(s,(_term,0));  proc_bond_atom(1); cntA_skeleton:=cntA; cntB_skeleton:=cntB;
   if cntP>0: ps_get(1); fi
-  font_use_check;
-  if sw_solid>=1:
-    size_setup; proc_skeleton; scaling;
+  define_pixels(font_wd,font_ht,thickness_font_frame);
+  char_use_check;
+  if sw_solid>=1: mol_size_setup; proc_skeleton; mol_scaling;
   else:
-    size_setup; proc_skeleton; scaling; resize(RW,RH); size_setup;
+    bond_len#:=0.025font_wd#; mol_size_setup;
+    for i=1 upto 6:
+      proc_skeleton; mol_scaling; mol_resize(RW,RH); exitif factor=1;
+      bond_len#:=bond_len#*factor; mol_size_setup;
+    endfor
     if bond_len#>max_bond_length#:
-      sw_solid:=1; bond_len#:=max_bond_length#;
-      size_setup; proc_skeleton; scaling; sw_solid:=0;
-    else:
-      for i=1 upto 4: proc_skeleton; scaling; resize(RW,RH); size_setup; endfor
-    fi
+       bond_len#:=max_bond_length#; mol_size_setup; proc_skeleton; mol_scaling;  fi
   fi
-  font_setup;
+  char_font_setup;
   if sw_subst_off=1: cntA:=cntA_skeleton; cntB:=cntB_skeleton; fi
   %----------------------------------------------------------------------------------------
   if f_beginchar=0:
-     if sw_clip=1:
-       f_wd#:=font_wd#*((len_x+2margin_left_right)/font_wd);
-       f_ht#:=font_ht#*((len_y+2margin_top_bottom)/font_ht);
-       font_wd:=len_x+2margin_left_right; font_ht:=len_y+2margin_top_bottom;
-     else:
-       f_wd#:=font_wd#; f_ht#:=font_ht#;
-     fi
-     beginchar(char_num,f_wd#,f_ht#,0);
-     f_beginchar:=1;
-  fi
+     if sw_clip=1: font_wd#:=font_wd#*((len_x+2margin_left_right)/font_wd);
+                   font_ht#:=font_ht#*((len_y+2margin_top_bottom)/font_ht);  fi
+     beginchar(char_num,font_wd#,font_ht#,0); f_beginchar:=1;  fi
   for i=1 upto cntB: if lineB[i]<si_ : draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
   for i=1 upto cntB: if lineB[i]>=si_: draw_bond(i,sB[i],eB[i],angB[i],lineB[i]); fi endfor
   for i=1 upto cntA:
@@ -418,14 +410,12 @@ def MCd(expr RW,RH)(expr FW,FH)(text s)=
        elseif sw_numberA=3: if numberA_end<cntA: nA:=numberA_end-i+1; else: nA:=cntA-i+1; fi
        else:                nA:=i; fi
        if     i<10:  draw_atom(i,posA[i],0,decimal(nA),1);
-       else:         draw_atom(i,posA[i]+(-.2atom_wd,0),0,decimal(nA),1);
-       fi
+       else:         draw_atom(i,posA[i]+(-.2atom_wd,0),0,decimal(nA),1);  fi
     elseif sw_numberB>=1:
-    else:  draw_atom(i,posA[i],br_ang[i],com_str[strA[i]],strW[strA[i]]);
-    fi
+    else:  draw_atom(i,posA[i],br_ang[i],com_str[strA[i]],strW[strA[i]]);  fi
   endfor
-  sft_X:=margin_left_right-min_x+(font_wd-len_x-2margin_left_right)*FW;
-  sft_Y:=margin_top_bottom-min_y+(font_ht-len_y-2margin_top_bottom)*FH;
+  sft_X:=margin_left_right-min_x+(w-len_x-2margin_left_right)*FW;
+  sft_Y:=margin_top_bottom-min_y+(h-len_y-2margin_top_bottom)*FH;
   if sw_mol_frame=1:    AUX(sft_X,sft_Y)(draw_frame(len_x,len_y,(min_x,min_y),0.2pt);) fi
   if sw_start_vector=1: AUX(sft_X,sft_Y)(start_vector) fi
   addto chem_structure also currentpicture shifted (sft_X,sft_Y);
@@ -631,29 +621,29 @@ if (nC>0)and(LN<>0):
   pickup pencircle scaled bond_pen_wd;
   if known colorB[n]: nB:=colorB[n]; fi
   if     (LN=si)or(sw_bond_single=1): draw pA Cp(nB);
-  elseif LN=dl:draw pA Cp(nB); draw sfB(pC,gap,ap) Cp(nB);
-  elseif LN=dr:draw pA Cp(nB); draw sfB(pC,gap,am) Cp(nB);
-  elseif LN=dm:draw sfB(pB,gap/1.75,ap) Cp(nB); draw sfB(pB,gap/1.75,am) Cp(nB);
-  elseif LN=tm:draw pA Cp(nB);draw sfB(pA,gap,ap) Cp(nB); draw sfB(pA,gap,am) Cp(nB);
+  elseif LN=dl:draw pA Cp(nB); draw sfB(pC,bondgap,ap) Cp(nB);
+  elseif LN=dr:draw pA Cp(nB); draw sfB(pC,bondgap,am) Cp(nB);
+  elseif LN=dm:draw sfB(pB,bondgap/1.75,ap) Cp(nB); draw sfB(pB,bondgap/1.75,am) Cp(nB);
+  elseif LN=tm:draw pA Cp(nB);draw sfB(pA,bondgap,ap) Cp(nB); draw sfB(pA,bondgap,am) Cp(nB);
   elseif LN=wf:fill Ls--sfB(Le,ww,am)--sfB(Le,ww,ap)--cycle;
   elseif LN=wb:fill sfB(Ls,ww,am)--Le--sfB(Ls,ww,ap)--cycle;
-  elseif LN=bd:draw pA withpen penrazor rotated ap scaled gap Cp(nB);
+  elseif LN=bd:draw pA withpen penrazor rotated ap scaled bondgap Cp(nB);
   elseif LN=bz:bz_put(sfB(Ls,ww,ap),sfB(Le,ww,ap),sfB(Ls,ww,am),sfB(Le,ww,am),nB);
   elseif LN=zf:wz_put(Ls,sfB(Le,ww,ap),sfB(Le,ww,am),nB);
   elseif LN=zb:wz_put(Le,sfB(Ls,ww,am),sfB(Ls,ww,ap),nB);
   elseif LN=dt:for i=0 step .75zebra_gap/length(Le-Ls) until 1: drawdot i[Ls,Le]; endfor
   elseif LN=wv:draw_wv;
-  elseif LN=vf:draw pA Cp(nB);draw sfB(Le,gap,ANG-150)--Le--sfB(Le,gap,ANG+150) Cp(nB);
-  elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,gap,ANG-30)--Ls--sfB(Ls,gap,ANG+30) Cp(nB);
-  elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs .75gap; draw pA Cp(nB);
+  elseif LN=vf:draw pA Cp(nB);draw sfB(Le,bondgap,ANG-150)--Le--sfB(Le,bondgap,ANG+150) Cp(nB);
+  elseif LN=vb:draw pA Cp(nB);draw sfB(Ls,bondgap,ANG-30)--Ls--sfB(Ls,bondgap,ANG+30) Cp(nB);
+  elseif LN=si_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs .75bondgap; draw pA Cp(nB);
   elseif LN=wf_:erase fill sfB(0.15[Ls,Le],.5ww,ap)--sfB(0.15[Ls,Le],.5ww,am)--
                            sfB(0.85[Ls,Le],1.25ww,am)--sfB(0.85[Ls,Le],1.25ww,ap)--cycle;
                 fill Ls--sfB(Le,ww,am)--sfB(Le,ww,ap)--cycle;
   elseif LN=wb_:erase fill sfB(0.15[Ls,Le],1.25ww,ap)--sfB(0.15[Ls,Le],1.25ww,am)--
                            sfB(0.85[Ls,Le],.5ww,am)--sfB(0.85[Ls,Le],.5ww,ap)--cycle;
                 fill sfB(Ls,ww,am)--Le--sfB(Ls,ww,ap)--cycle;
-  elseif LN=bd_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 1.5gap;
-                draw pA withpen penrazor rotated ap scaled gap Cp(nB);
+  elseif LN=bd_:erase draw 0.15[Ls,Le]--0.85[Ls,Le] wpcs 1.5bondgap;
+                draw pA withpen penrazor rotated ap scaled bondgap Cp(nB);
   fi
   if (sw_numberB>=1)and(n>=numberB_start)and(n<=numberB_end):
       if     sw_numberB=2: nB:=n-numberB_start+1;
@@ -688,8 +678,8 @@ Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6)); Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5))
 !:='((_mk_bond,_arg_ang)); !0:='(<180,180);
 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
+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}");
@@ -715,37 +705,27 @@ def expand_set=  save CH,NH,NO,OH,CHO,COOH,CN,SH;
   CH3:=C_HHH; NH:=N_H; NH2:=N_HH; NO2:=N_OO; OH:=O_H; CHO:=CO_H; COOH:=CO_OH; CN:=C_N; SH:=S_H;
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-def font_size_set(expr m)(expr n)(expr o)(expr s)=
-  for j=0 upto length(s)-1: num_a:=ASCII(pic_c(j,s));
-    if f_FON[num_a]=1: atom_w[num_a]:=m*atom_wd; atom_h[num_a]:=n*atom_wd; atom_d[num_a]:=o*atom_wd; fi
-  endfor
-enddef;
-def font_size_setup=  font_size_set(  1)(  1)(0)("CGHMNOQ");
-                      font_size_set( .9)(  1)(0)("ABDEFIJKLPRSTUVWXYZ-+/><m");
-                      font_size_set( .7)(  1)(0)(" ()0123456789nhj=*bdiltf");
-                      font_size_set( .7)(  1)(.15)("pqg");
-                      font_size_set( .7)( .8)(0)("acekosuvxzwry");
-                      font_size_set( .4)(  1)(0)(".,:;'`");
-enddef;
-%------------------------------------------------------------------------------------------------
 def SP(expr a,b)expr p=subpath(a*length(p),b*length(p)) of p enddef;
-def vL= withpen penrazor scaled fP enddef; def hL= withpen penrazor rotated 90 scaled fP enddef;
+def vL= withpen penrazor scaled fP enddef;
+def hL= withpen penrazor rotated 90 scaled fP enddef;
 def sH expr a= shifted (0,a) enddef;
 def PO= z10..(.8aW,fH)..tension 1.5..(.2aW,fH)..z09..(.2aW,hP)..tension 1.5..(.8aW,hP)..cycle
 enddef;
 def POh= (hP,.25aH)..z19..(fW,.25aH)..(hW,hH)..cycle enddef;
 def FD(expr c)(text s)=
 if f_FON[ASCII(c)]=1:
-  aW:=atom_w[ASCII(c)]*(1-ratio_atomgap_atom*2); aH:=atom_h[ASCII(c)]*(1-ratio_atomgap_atom*2);
+  aW:=atom_w[ASCII(c)]*(1-ratio_atomgap_atom*2);
+  aH:=atom_h[ASCII(c)]*(1-ratio_atomgap_atom*2);
   fW:=aW-hP; hW:=.5aW; fH:=aH-hP; hH:=.5aH;
   z01=( 0,hP); z02=(hP, 0); z03=(hP,hP); z05=(aW,hP); z07=(fW, 0); z08=( 0,hH); z09=(hP,hH);
   z10=(fW,hH); z12=( 0,fH); z13=(hP,fH); z14=(hW,fH); z16=(aW,fH); z18=(hP,aH); z19=(hW,hP);
   s;
-  atom_font[ASCII(c)]:=currentpicture shifted (ratio_atomgap_atom*atom_wd,ratio_atomgap_atom*atom_wd);
+  atom_font[ASCII(c)]:=
+    currentpicture shifted (ratio_atomgap_atom*atom_wd,ratio_atomgap_atom*atom_wd);
   clearxy; save x,y; clearit; fi
 enddef;
 %-------------------------------------------------------------------------------------------------
-def font_setup=
+def char_font_setup=
 pickup pencircle scaled char_pen_wd; fP:=char_pen_wd; hP:=.5char_pen_wd;
 FD(" ")();
 FD(".")(drawdot z19 wpcs fP);