mcf2graph (30aug15)

git-svn-id: svn://tug.org/texlive/trunk@38247 c570f23f-e606-0410-a88d-b1316a301751

1 files changed, 240 insertions, 82 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 2896e9e0a06..62429c969d3 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,12 +1,12 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%  Molecular Coding Format manual     by  Akira Yamaji 2015.8.16
+%  Molecular Coding Format manual     by  Akira Yamaji 2015.8.30
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[dvipdfmx]{graphicx}
 %%%%\usepackage[pdftex]{graphicx}
 %%%%\usepackage{epstopdf}
 \pagestyle{empty}
-\topmargin=-17mm
+\topmargin=-18mm
 \textheight=27.5cm
 \textwidth=18cm
 \oddsidemargin=-9mm
@@ -21,19 +21,21 @@
 %----------------------------------------------------------------------------
 \font\@strufont=mcf_man_soc\relax%
 %----------------------------------------------------------------------------
-\def\MCFtitle#1{\framebox{\bf No.\the\tempnum}\hspace{2mm}#1}
+\def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1}
 %----------------------------------------------------------------------------
+\def\MCFstru{%
+ \rlap{\makebox(75,0)[t]{\makebox(70,35){\@strufont\char\fontnum}}}%
+ \advance\fontnum\@ne\relax}%
 \def\MCFstructure{%
- \makebox(75,0)[t]{\frame{\makebox(70,35){\@strufont\char\fontnum}}}
- \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax%
-}%
+ \makebox(75,0)[t]{\frame{\makebox(70,35){\@strufont\char\fontnum}}}%
+ \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}%
 %----------------------------------------------------------------------------
 \begin{document}
 \noindent%
 \begin{picture}(180,0)
- \put(35,12){{\LARGE Molecular Coding Format manual}\hspace{10mm}
- by Akira Yamaji 2015.8.16}
-\end{picture}\vspace{-6mm}\\
+ \put(25,12){{\LARGE Molecular Coding Format manual}\hspace{10mm}
+ by Akira Yamaji 2015.8.30}
+\end{picture}\vspace{-4.2mm}\\
 %----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Chain (1)}
@@ -78,7 +80,7 @@ six membered ring
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
-\MCFtitle{rotate}
+\MCFtitle{Rotate}
 \begin{verbatim}
 ^^angle:rotate current angle
 
@@ -221,9 +223,9 @@ Insert hetero atom
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Fused ring (1)}
 \begin{verbatim}
-?6,3=?6 : fuse ?6 at B3
+?6,3=?5 : fuse ?5 at B3
 
-  ?6,3=?6
+  ?6,3=?5
 
 \end{verbatim}
 \end{minipage}
@@ -300,8 +302,7 @@ Insert hetero atom
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Branch (1)}
 \begin{verbatim}
-/ : branch bond
-/ : process at last
+/ : branch bond(make at last)
  
  ^^30,!3,/!2,!3
 \end{verbatim}
@@ -594,7 +595,7 @@ Insert user defined substructure
 \begin{verbatim}
   max_bond_width:=0.10;
   MCd(1,1)(0, .5)(^^30,Ph)
-  max_bond_width:=0.15;         %<<== default ==>>
+  max_bond_width:=0.15;         %<<== default
   MCd(1,1)(.33, .5)(^^30,Ph)
   max_bond_width:=0.30;
   MCd(1,1)(1, .5)(^^30,Ph)
@@ -607,25 +608,39 @@ Insert user defined substructure
 \MCFtitle{Ratio thickness/bond length}
 \begin{verbatim}
 ratio_thickness_bond:= 0.005;
-MCd(.6,.6)(0, .5)(^^30,Ph)
-ratio_thickness_bond:= 0.015;    %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph)
+MCd(1,.6)(0, .5)(^^30,Ph)
+ratio_thickness_bond:= 0.015;    %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph)
 ratio_thickness_bond:= 0.030;
-MCd(.6,.6)(1, .5)(^^30,Ph)
+MCd(1,.6)(1, .5)(^^30,Ph)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset thickness of bond}
+\begin{verbatim}
+beginfont() offset_thickness#:=0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.2pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph) endfont
+beginfont() offset_thickness#:=0.5pt#;
+MCd(1,.3)(1, .5)(^^30,Ph) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Ratio char/bond thickness}
 \begin{verbatim}
 ratio_char_bond:=1.0;
-MCd(.6,.6)(0, .5)(^^30,?6,5:O,2:NH)
-ratio_char_bond:=1.5;           %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:O,2:NH)
+MCd(1,.6)(0, .5)(^^30,?6,5:O,2:NH)
+ratio_char_bond:=1.5;           %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:O,2:NH)
 ratio_char_bond:=2.0;
-MCd(.6,.6)(1, .5)(^^30,?6,5:O,2:NH)
+MCd(1,.6)(1, .5)(^^30,?6,5:O,2:NH)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -635,53 +650,110 @@ MCd(.6,.6)(1, .5)(^^30,?6,5:O,2:NH)
 \MCFtitle{Ratio bondgap/bond length}
 \begin{verbatim}
 ratio_bondgap_bond:= 0.10;
-MCd(.6,.6)(0, .5)(^^30,Ph)
-ratio_bondgap_bond:= 0.15;      %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph)
+MCd(1,.6)(0, .5)(^^30,Ph)
+ratio_bondgap_bond:= 0.15;      %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph)
 ratio_bondgap_bond:= 0.20;
-MCd(.6,.6)(1, .5)(^^30,Ph)
+MCd(1,.6)(1, .5)(^^30,Ph)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset of doublebond gap}
+\begin{verbatim}
+beginfont() offset_bond_gap#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=0.3pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph) endfont
+beginfont() offset_bond_gap#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,Ph) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Ratio atom/bond length}
 \begin{verbatim}
 ratio_atom_bond:= 0.25;
-MCd(.6,.6)(0, .5)(^^30,?6,@(2,5)O)
-ratio_atom_bond:= 0.36;         %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,@(2,5)O)
+MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
+ratio_atom_bond:= 0.36;         %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
 ratio_atom_bond:= 0.45;
-MCd(.6,.6)(1, .5)(^^30,?6,@(2,5)O)
+MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
-\MCFtitle{Ratio chain/ring length}
+\MCFtitle{Offset of atom width}
 \begin{verbatim}
-ratio_chain_ring:= 0.4;
-MCd(.6,.6)(0, .5)(^^30,?6,5:/Et)
-ratio_chain_ring:= 0.66;        %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:/Et)
-ratio_chain_ring:= 1.0;
-MCd(.6,.6)(1, .5)(^^30,?6,5:/Et)
+beginfont() offset_atom#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,Ph,@(2,4,6)N) endfont
+beginfont() offset_atom#:=0.8pt#; %<<== default
+MCd(1,.3)(.5, .5)(^^30,Ph,@(2,4,6)N) endfont
+beginfont() offset_atom#:=2.0pt#;
+MCd(1,.3)(1, .5)(^^30,Ph,@(2,4,6)N) endfont
 \end{verbatim}
 \end{minipage}
-\MCFstructure
+\MCFstru\MCFstru\MCFstructure%
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Ratio wedge/bond length}
 \begin{verbatim}
 ratio_wedge_bond:=0.10;
-MCd(.6,.6)(0, .5)(^^30,?6,5:*/Me)
-ratio_wedge_bond:=0.15;         %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,?6,5:*/Me)
+MCd(1,.6)(0, .5)(^^30,?6,5:*/Me)
+ratio_wedge_bond:=0.12;         %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:*/Me)
 ratio_wedge_bond:=0.20;;
-MCd(.6,.6)(1, .5)(^^30,?6,5:*/Me)
+MCd(1,.6)(1, .5)(^^30,?6,5:*/Me)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Offset of wedge width}
+\begin{verbatim}
+beginfont("EN:Offset_wedge")
+offset_wedge#:=0.0pt#;
+MCd(1,.3)(0, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=0.4pt#;  %<<== default
+MCd(1,.3)(.5, .5)(^^30,?6,5:*/Me) endfont
+beginfont() offset_wedge#:=1.0pt#;
+MCd(1,.3)(1, .5)(^^30,?6,5:*/Me) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Ratio font atom gap/atom length}
+\begin{verbatim}
+ratio_atomgap_atom:=0.0;
+MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O)
+ratio_atomgap_atom:=0.050;      %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O)
+ratio_atomgap_atom:=0.12;
+MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Ratio chain/ring length}
+\begin{verbatim}
+ratio_chain_ring:= 0.4;
+MCd(1,.6)(0, .5)(^^30,?6,5:/Et)
+ratio_chain_ring:= 0.66;        %<<== default
+MCd(1,.6)(.5, .5)(^^30,?6,5:/Et)
+ratio_chain_ring:= 1.0;
+MCd(1,.6)(1, .5)(^^30,?6,5:/Et)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -690,12 +762,40 @@ MCd(.6,.6)(1, .5)(^^30,?6,5:*/Me)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Ratio zebra gap/bond length}
 \begin{verbatim}
-ratio_zebra_gap:=0.06;
-MCd(.6,.6)(0, .5)(^^30,Ph,5:/*Me`1)
-ratio_zebra_gap:=0.12;          %<<== default ==>>
-MCd(.6,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
-ratio_zebra_gap:=0.20;
-MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.06;
+MCd(1,.6)(0, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.12;      %<<== default
+MCd(1,.6)(.5, .5)(^^30,Ph,5:/*Me`1)
+ratio_zebragap_bond:=0.20;
+MCd(1,.6)(1, .5)(^^30,Ph,5:/*Me`1)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Margin left and right}
+\begin{verbatim}
+margin_left_right:=0mm;
+MCd(1,1)(0.5,0.9)(^^30,CH3,!0,!17,CH3)
+margin_left_right:=0.4mm;        %<<== default
+MCd(1,1)(0.5,0.5)(^^30,CH3,!0,!17,CH3)
+margin_left_right:=2mm;
+MCd(1,1)(0.5,0.1)(^^30,CH3,!0,!17,CH3)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Margin top and bottom}
+\begin{verbatim}
+margin_top_bottom:=0mm;
+MCd(1,1)(0.1,0.5)(^^30,Ph,2:/OH,5:/NH2)
+margin_top_bottom:=0.4mm;        %<<== default
+MCd(1,1)(0.5,0.5)(^^30,Ph,2:/OH,5:/NH2)
+margin_top_bottom:=2mm;
+MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -705,9 +805,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \MCFtitle{Switch Start Vector}
 \begin{verbatim}
 
-  MCd(.8,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
   sw_start_vector:=1;
-  MCd(.8,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -716,10 +816,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Switch NumberingA}
 \begin{verbatim}
-
   sw_numberA:=1;
-  MCf(^^30,
-      Ph,-4=Ph1,-3\,!,Ph,10:/Et)
+
+  MCf(^^30,Ph,-4=Ph1,-3\,!,Ph,10:/Et)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -728,10 +827,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Switch NumberingB}
 \begin{verbatim}
-
   sw_numberB:=1;
-  MCf(^^30,
-      Ph,-4=Ph1,-3\,!,Ph,10:/Et)
+
+  MCf(^^30,Ph,-4=Ph1,-3\,!,Ph,10:/Et)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -740,8 +838,8 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Switch font frame}
 \begin{verbatim}
-
   sw_font_frame:=1;
+
   MCf(^^30,Ph,4:/Cl,3:/F)
 \end{verbatim}
 \end{minipage}
@@ -752,32 +850,33 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \MCFtitle{Switch molecular frame}
 \begin{verbatim}
 
-  MCd(.8,.8)(0,0)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)(0,0)(^^30,Ph,4:/Cl,3:/F)
   sw_mol_frame:=1;
-  MCd(.8,.8)(1,1)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)(1,1)(^^30,Ph,4:/Cl,3:/F)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
-%%\begin{minipage}[t][38mm]{100mm}
-%%\MCFtitle{Switch atom frame}
-%%\begin{verbatim}
-%%
-%%  sw_atom_frame:=1;
-%%  MCf(^^30,Ph,4:/COOH,3:/OH)
-%%\end{verbatim}
-%%\end{minipage}
-%%\MCFstructure
-%%\vspace{6mm}\\
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Switch atom frame}
+\begin{verbatim}
+
+  sw_atom_frame:=1;
+
+  MCf(^^30,Ph,4:/COOH,3:/OH)
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
 %-----------------------------------------------------------------------------
 \begin{minipage}[t][38mm]{100mm}
-\MCFtitle{Switch Solid ratio}
+\MCFtitle{Switch solid mode}
 \begin{verbatim}
 
-  MCd(.8,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)( 0, 0)(^^30,Ph,4:/Cl,3:/F)
   sw_solid:=1; ratio_bond_width:=0.08;
-  MCd(.8,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
+  MCd(1,.8)( 1, 1)(^^30,Ph,4:/Cl,3:/F)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -787,9 +886,9 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \MCFtitle{Switch Expand}
 \begin{verbatim}
 
-  MCd(.6,.6)(0,0)(^^30,Ph,4:/COOH,3:/NH2)
+  MCd(1,.6)(0,0)(^^30,Ph,4:/COOH,3:/NH2)
   sw_expand:=1;
-  MCd(.6,.6)(1,1)(^^30,Ph,4:/COOH,3:/NH2)
+  MCd(1,.6)(1,1)(^^30,Ph,4:/COOH,3:/NH2)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -798,13 +897,13 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Function MCd}
 \begin{verbatim}
-  MCd(1,0.8)(0.2,0.9)(^^30,Ph,2:/OH,5:/NH2)
-  MCd(1,0.8)(0.8,0.1)(^^30,Ph,2:/OH,5:/NH2)
-
-  MCd(a,b)(c,d)(MCF)
+  MCd(a,b)(c,d)(...)
     a: ratio molecular width/font width
     b: ratio molecular hight/font hight
     c: x axis position  d:y axis position
+
+  MCd(1,0.8)(0.2,0.9)(^^30,Ph,2:/OH,5:/NH2)
+  MCd(1,0.8)(0.8,0.1)(^^30,Ph,2:/OH,5:/NH2)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
@@ -813,14 +912,73 @@ MCd(.6,.6)(1, .5)(^^30,Ph,5:/*Me`1)
 \begin{minipage}[t][38mm]{100mm}
 \MCFtitle{Function MCf}
 \begin{verbatim}
+  MCf(...) : MCd(1,1)(0.5,0.5)(...)
 
-  MCf(^^30,Ph,2:/OH,5:/NH2)
-
-  MCf(MCF) : MCd(1,1)(0.5,0.5)(MCF)
+  sw_font_frame:=1;  sw_mol_frame:=1;
 
+  MCf(^^30,Ph,2:/OH,5:/NH2)
 \end{verbatim}
 \end{minipage}
 \MCFstructure
 \vspace{6mm}\\
 %-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Local setting}
+\begin{verbatim}
+beginfont("NO:1")
+  sw_mol_frame:=1; % <<== Local setting
+  MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont("NO:2")
+  MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont("NO:3")
+  MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Global setting}
+\begin{verbatim}
+sw_mol_frame:=1; % <<== Global setting
+beginfont("NO:1")
+  MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont
+beginfont("NO:2")
+  MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont
+beginfont("NO:3")
+  MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont
+\end{verbatim}
+\end{minipage}
+\MCFstru\MCFstru\MCFstructure%
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Output molecular infomation}
+\begin{verbatim}
+beginfont() sw_info_weight:=sw_info_formula:=1;
+MCf(...) endfont
+%% Output to mcf_man_soc_info.aux %%
+\INFO{{F:mcf_man_soc}{C:82}{MWc:194.19174}
+      {FMc:C8H10N4O2}}%
+MWc:calculated molecular weight
+FMc:calculated molecular formula
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+\vspace{6mm}\\
+%-----------------------------------------------------------------------------
+\begin{minipage}[t][38mm]{100mm}
+\MCFtitle{Output additional infomation}
+\begin{verbatim}
+beginfont("EN:Caffeine","CAS:58-08-2")
+MCf(...) endfont
+%% Output to mcf_man_soc_info.aux %%
+\INFO{{F:mcf_man_soc}{C:83}{EN:Caffeine}
+     {CAS:111-111-111}}%
+*F:filename *C:char number EN:molecular name
+CAS:CAS number *:default output
+\end{verbatim}
+\end{minipage}
+\MCFstructure
+%-----------------------------------------------------------------------------
 \end{document}