mcf2graph (6jun21)

git-svn-id: svn://tug.org/texlive/trunk@59490 c570f23f-e606-0410-a88d-b1316a301751

11 files changed, 387 insertions, 219 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index 73646738ae5..174d21ad00f 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,39 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2021-05-23
+ Changelog of mcf2graph software package          by Akira Yamaji 2021-06-06
 *******************************************************************************
+[ver. 4.66  / 2021-06-06]
+  -add binary operator in {...}
+    { a -- b , ...} : { a,a+1,...,b , ...} (a<b)
+  -change option parameters
+     sw_numberA=1 => sw_numbering=Atom
+     sw_numberA=2 => sw_numbering=Atom+Brock
+     sw_numberA=3 => sw_numbering=Atom+Inverse
+     sw_numberB=1 => sw_numbering=Bond
+     sw_numberB=2 => sw_numbering=Bond+Brock
+     sw_numberB=3 => sw_numbering=Bond+Inverse
+     sw_fframe=1 => sw_frame=Outside
+     sw_fframe=2 => sw_frame=Inside
+     sw_fframe=3 => sw_frame=Outside+Inside=Bothside
+     sw_aframe=1 => sw_frame=sw_frame+Atom
+     sw_mframe=1 => sw_frame=sw_frame+Mol
+     numberA_start,numberB_start => numbering_start
+     numberA_end,numberB_end => numbering_end
+     Info1 => Info
+     Info2 => Info+Table
+     Info_t => Info+Temp
+     Mcode_t => Mcode+Temp
+     Report_t => Report+Temp
+     None_Info_t => Font+Info+Temp
+     None_Mcode_t => Font+Mcode+Temp
+     None_Report_t => Font+Report+Temp
+     None_Info_Mcode_t => Font+Info+Mcode+Temp
+  -delete option parameters
+     sw_numberA,sw_numberB,numberA_start,numberA_end,
+     numberB_start,numberB_end,
+     sw_fframe,sw_aframe,sw_mframe
+  -update mcf_data_base.mcf
+  -update MCF manual,example
+
 [ver. 4.65  / 2021-05-23]
   -add parameter for sw_output
     None_Info_t  :  output font,'temp-info.aux'
@@ -164,7 +197,7 @@
   -improve to ignore unknown command
 
 [ver. 4.43  / 2019-06-23]
-  -add binop for add()
+  -add binary operator for add()
      a << b : a rotated b
   -improve embedded font
   -update MCF manual
@@ -174,7 +207,7 @@
      plus     : circled plus
      minus    : circled minus
      lonepair : lonepair
-  -add binop for add()
+  -add binary operator for add()
      a ** b : a scaled b
      a /* b : point of b scaled a
   -add variable for add()
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 36b7057f9f6..8a3a382c155 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    : 4.65 2021-05-23
+ version    : 4.66 2021-06-06
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
index 0f34dabeea5..129239e46d0 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_data_base.mcf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.05.23
+% molecular data base file    mcf_data_base.mcf   by Akira Yamaji   2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 %  tag1:var1;tag2:var2;tag3:var3 .....
 %  first character of line '%' comment out
@@ -111,6 +111,43 @@ Cat:biological;EN:L-Hystidine;MW:155.16;EXA:-
 <30,NH2,!~wb,!,COOH,@2,\,!,|,?5,{1,3}=dl,3:N,5:NH
 +------------------------------------------------------------------------------
 %==============================================================================
+Cat:biological;EN:Citrate;MW:192.12;EXA:3
++
+<30,COOH,!,!2`1.2,!,COOH,@-4`1,\,COOH,4:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:cis-Aconitate;MW:174.11;EXA:3
++
+<30,COOH,!2,!~dr,!,COOH,@-4`1,\,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Isocitrate;MW:192.12;EXA:3
++
+<30,COOH,!4,COOH,@-3,\`1,COOH,4:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Oxalosuccinate;MW:190.11;EXA:3
++
+<30,COOH,!,!2`1.2,//O,!,COOH,@-4,\`1,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:alfa-Ketoglutarate;MW:146.1;EXA:3
++
+<30,COOH,!3,//O,!,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Succinate;MW:118.09;EXA:3
++
+<30,COOH,!3,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Fumarate;MW:116.07;EXA:3
++
+<30,COOH,!,!~dr,!,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:L-Malate;MW:132.07;EXA:3
++
+<30,COOH,!3,COOH,3:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Oxaloacetate;MW:132.07;EXA:3
++
+<30,COOH,!,//O,!2,COOH
++------------------------------------------------------------------------------
+%==============================================================================
 Cat:biological;EN:Geraniol;MW:154.25;EXA:1
 +
 <30,!8,OH,{2,6}=dr,{2,6}:/_
@@ -123,14 +160,56 @@ Cat:biological;EN:l-Menthol;MW:156.27;EXA:1
 +
 <30,?6,2:/*?!,5:*/_,3:*/OH
 +------------------------------------------------------------------------------
-Cat:biological;EN:Vanillin;MW:152.15;EXA:1
-+
-<30,Ph,2:/OH,3:/O!,5:/CHO
-+------------------------------------------------------------------------------
 Cat:biological;EN:Allicin;MW:162.28;EXA:1
 +
 <-30,!!,!2,SO,!,S,!2,!!
 +------------------------------------------------------------------------------
+%==============================================================================
+Cat:synthetic;EN:Benzene;MW:78.11;EXA:3
++
+<30,Ph
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Phenol;MW:94.11;EXA:3
++
+<30,Ph,3:/OH
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Aniline;MW:93.13;EXA:3
++
+<30,Ph,3:/NH2
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Picric acid;MW:229.10;EXA:3
++
+<30,Ph,{1,3,5}:/NO2,2:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Benzoic acid;MW:122.12;EXA:3
++
+<30,Ph,3:/COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Gallic acid;MW:170.12;EXA:3
++
+<30,Ph,3:/COOH,{1,5,6}:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Salicylic acid;MW:138.12;EXA:3
++
+<30,Ph,3:/COOH,4:/OH
++------------------------------------------------------------------------------
+Cat:biological;EN:Cinnamic acid;MW:148.16;EXA:3
++
+<30,Ph,@3,\,!!,!,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Cinnamaldehyde;MW:132.16;EXA:3
++
+<30,Ph,@3,\,!!,!,CHO
++------------------------------------------------------------------------------
+Cat:biological;EN:Caffeic acid;MW:180.16;EXA:3
++
+<30,Ph,{1,6}:/OH,@3,\,!!,!,COOH
++------------------------------------------------------------------------------
+Cat:biological;EN:Vanillin;MW:152.15;EXA:1
++
+<30,Ph,2:/OH,3:/O!,5:/CHO
++------------------------------------------------------------------------------
+%==============================================================================
 Cat:biological;EN:Stearic acid;MW:284.48;EXA:1
 +
 <30,!17,COOH
@@ -143,6 +222,7 @@ Cat:biological;EN:Sphingosine;MW:299.50;EXA:1
 +
 <30,!18,OH,14=dr,-3:*/OH,-2:/*NH2
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:biological;EN:Tocopherol;MW:430.717;EXA:1
 +
 <30,Ph,3=?6,7:O,{1,2,5}:/_,8:/*_^60,6:/OH,@8,\,|,!12,{4,8}:/*_,12:/_
@@ -197,19 +277,54 @@ Cat:biological;EN:Glutathione;MW:307.33;EXA:1
 +
 <-30,COOH,!,/*NH2,!3,//O,!,NH,!,*/!SH,!,//O,!,NH,!2,COOH
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:synthetic;EN:Hexaphenylbenzene;MW:534.6876;EXA:1
 +
 <30,Ph,{1,2,3,4,5,6}:/Ph
 +------------------------------------------------------------------------------
+Cat:synthetic;EN:Naphthalene;MW:128.17;EXA:3
++
+<30,Ph,3=Ph1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Anthracene;MW:178.23;EXA:3
++
+<30,Ph,3=Ph1,6=Ph1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Phenanthrene;MW:178.23;EXA:3
++
+<30,Ph,4=Ph1,6=Ph1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Naphthacene;MW:228.3;EXA:3
++
+<30,Ph,6=Ph1,3=Ph1,-3=Ph1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Chrysene;MW:228.3;EXA:3
++
+<30,Ph2,6=Ph1,4=Ph1,-4=Ph1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:Pyrene;MW:202.25;EXA:3
++
+<30,Ph2,6=Ph1,4=Ph1,(16,7)=?6[3],-2=dl
++------------------------------------------------------------------------------
 Cat:synthetic;EN:Kekulene;MW:600.7;EXA:1
 +
 <30,Ph,{3,-2,-3,-2,-3,-2,-3,-2,-3,-2}=?6,(-3,6)=?6[3],@-4,&6,
  {8,12,14,16,18,22,24,26,28,32,34,36,38,42,44,46,48,52,54,56,58}=dl
 +------------------------------------------------------------------------------
+%==============================================================================
+Cat:synthetic;EN:12-Crown-4;MW:176.21;EXA:3
++
+<-180,O,30,60,60,O,-30,60,60,O,-30,60,60,O,-30,60,&1
++------------------------------------------------------------------------------
+Cat:synthetic;EN:15-Crown-5;MW:220.26;EXA:3
++
+<-180,O,48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,60,O,-48,60,&1
++------------------------------------------------------------------------------
 Cat:synthetic;EN:18-Crown-6;MW:264.32;EXA:1
 +
 <-180,O,60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,60,O,-60,60,&1
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:synthetic;EN:Porphyrin;MW:310.4;EXA:1
 +
 <9,#1,?5,@3,\,54,?5,@-2,\,54,?5,@-2,\,54,?5,@-2,\,&5,##,
@@ -229,6 +344,7 @@ Cat:synthetic;EN:Melamine;MW:126.12;EXA:1
 +
 <30,Ph,{2,4,6}:N,{1,3,5}:/NH2
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:synthetic;EN:Sudan red 1;MW:248.28;EXA:1
 +
 <30,Ph,1=Ph,4:/OH,@3,\,N,!!,N,!,Ph
@@ -245,6 +361,7 @@ Cat:synthetic;EN:Vat blue 1;MW:262.27;EXA:1
 +
 <30,Ph,3=?5,@8,\\,?5,-3=dr,-3=Ph,{7,14}:NH,{9,11}://O
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:pesticide;EN:Atrazine;MW:215.7;EXA:1
 +
 <30,Ph,{2,4,6}:N,5:/Cl,1:/NH!2,3:/NH!?!
@@ -431,6 +548,7 @@ Cat:pesticide;EN:Uniconazole-P;MW:291.779;EXA:1
 +
 <30,Ph,6:/Cl,@3,\,!~dl,!,/OH,!,??!,@8,\,|,?5,{2,4}=dl,{1,2,4}:N
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:antibacterial;EN:Oxadiargyl;MW:341.19;EXA:1
 +
 <30,Ph,{1,3}:/Cl,6:/'(O,!2,!!!),@4,\,|,?5,2=dl,{1,2}:N,4:O,5://O,3:/??!
@@ -441,7 +559,7 @@ Cat:antibacterial;EN:Oxaziclomefone;MW:376.277;EXA:1
 +------------------------------------------------------------------------------
 Cat:antibacterial;EN:Trimetoprim;MW:290.323;EXA:1
 +
-<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3,4,5}:/O!
+<30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,{3--5}:/O!
 +------------------------------------------------------------------------------
 Cat:antibacterial;EN:Ciprofloxacin;MW:331.347;EXA:1
 +
@@ -466,6 +584,7 @@ Cat:antibacterial;EN:Ormetoprim;MW:274.324;EXA:1
 +
 <30,Ph,{1,5}:N,{2,6}:/NH2,@3,\,!,|,Ph,2:/_,{4,5}:/O!
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:antibiotics;EN:Amoxicillin;MW:365.4042;EXA:1
 +
 <45,?4,-3=?5,2:N,7:S,3^45:/*H,1://O^15,5:/*COOH^-18,6:??,
@@ -668,6 +787,7 @@ Cat:antibiotics;EN:Rifampicin;MW:822.94;EXA:1
  60,/*_^30,-53,66,-53~dl,66`1.2,O,##,&$8,
  -4:/*O!,@-6,-30,O,!,//O,!,@$11,\,!!,N,!,|,?6,1:N,4:N!
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:biological;EN:Trenbolone;MW:270.37;EXA:1
 +
 <30,?6,{3,10}=?6,13=?5,{2,11,15}=dl,1://O,12:*/_^60,-1:/*OH,9:*/H^60,11:/*H^-60
@@ -683,10 +803,32 @@ Cat:biological;EN:Chlorophyll a;MW:893.509;EXA:1
  {4,11,17,23}:N,{1~zf,9,15,21}:/_,14:/!,20:/!!,25:/*COO!,26://O,
  @2,*\^-6,!2,//O,!,O,!2,!!,|,!13,{1,5,9,13}:/_
 +------------------------------------------------------------------------------
+%==============================================================================
+Cat:biological;EN:Flavone;MW:222.24;EXA:3
++
+<30,Ph,3=?6,9=dl,10:O,7://O,9:/Ph,
++------------------------------------------------------------------------------
+Cat:biological;EN:Isoflavone;MW:222.24;EXA:3
++
+<30,Ph,3=?6,9=dl,10:O,7://O,8:/Ph,
++------------------------------------------------------------------------------
+Cat:biological;EN:Flavanone;MW:224.25;EXA:3
++
+<30,Ph,3=?6,10:O,7://O,8:/OH,9:/Ph,
++------------------------------------------------------------------------------
+Cat:biological;EN:Flavonol;MW:238.24;EXA:3
++
+<30,Ph,3=?6,9=dl,10:O,7://O,8:/OH,9:/Ph,
++------------------------------------------------------------------------------
+Cat:biological;EN:Cianidanol;MW:290.27;EXA:3
++
+<30,Ph,3=?6,@8,*\,Ph,7:O,{1,5,13,14}:/OH,9:/*OH
++------------------------------------------------------------------------------
 Cat:biological;EN:Quercetin;MW:302.24;EXA:1
 +
 <30,Ph,3=?6,@9,\,Ph,9=dl,10:O,7://O,{2,6,8,13,14}:/OH
 +------------------------------------------------------------------------------
+%==============================================================================
 Cat:biological;EN:Limonin;MW:470.518;EXA:1
 +
 <30,?6,{-3,-4}=?6,-5=?3,-2=wf,-1=wb,6=?5,-4=?6,-5=wf,{13,15,17,20}:O,
@@ -1262,7 +1404,7 @@ Cat:pesticide;EN:Pyriminobac-Methyl;MW:361.354;EXA:-
 +------------------------------------------------------------------------------
 Cat:pesticide;EN:Pirimiphos-methyl;MW:305.333;EXA:-
 +
-<30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_,@-4,\,N,/!,!2
+<-30,!,O,!,P,//S,/O!^160,!,O,!,|,Ph,{2,4}:N,5:/_,@-4,\,N,/!,!2
 +------------------------------------------------------------------------------
 Cat:pesticide;EN:Pyrimethanil;MW:199.257;EXA:-
 +
@@ -1541,7 +1683,7 @@ Cat:pesticide;EN:Lenacil;MW:234.3;EXA:-
 %******************************************************************************
 Cat:pesticide;EN:Azinphos-methyl;MW:317.318;EXA:-
 +
-<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1,2,3}:N,6://O
+<-30,!,O,!,P,//S,/O!^160,!,S,!2,|,?6,-3=?6,{2,4,8,10}=dl,{1--3}:N,6://O
 +------------------------------------------------------------------------------
 Cat:pesticide;EN:Azoxystorbin;MW:403.394;EXA:-
 +
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 2356e3194e7..a6f4446129b 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,8 +1,8 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2021.05.23
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.65
-message "* mcf_exa_soc 2021.05.23";
+input mcf2graph.mf;   %%% it must be version 4.66
+message "* mcf_exa_soc 2021.06.06";
 message "";
 %------------------------------------------------------------------------------
 fsize:=(35mm,24mm);
@@ -11,7 +11,7 @@ tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
 %------------------------------------------------------------------------------
 %%%%sw_fframe:=1;
 %%%% outputformat:="png"; hppp:=vppp:=0.1; outputtemplate:="%j-%3c.png";
-%%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
+%ext(defaultfont:="uhvr8r"; defaultscale:=.6; label.lrt(inf_EN,(-2bp,1.5bp));)
 %------------------------------------------------------------------------------
 if f_MP=0: input mcf_exa_soc-mf.aux; % (metafont) make aux file before typeset
 else:                                % mpost -s ahlength=7 mcf_exa_soc.mf
@@ -37,8 +37,8 @@ beginfont("f+:mcf_data_base","t:n","v:5")                % 'f+'=keep file open
 endfont
 %******************************************************************************
 forever:
-%%%%%%%%  beginfont("f+:mcf_data_base","v:*")            % select all
   beginfont("f+:mcf_data_base","t:EXA","v:1")            % 'f+'=keep file open
+%%%%%%%%%%  beginfont("f+:mcf_data_base","v:*")          % select all
     if f_EOF=0: if check(mc)=0: MC(scantokens(mc)) fi fi % 'v:1' select EXA=1
   endfont                                                %
   exitif f_EOF=1;                                        % exit if file end
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 62767a62162..2a1fe6b1ba5 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 5515b890b0e..c60790d138d 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  2021.05.23
+% Example of MCF typeset by LaTeX   mcf_examples.tex   by A.Yamaji  2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage{graphicx}
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 afefa48dcf0..16100feb75c 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,9 +1,9 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2021.05.23
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %% it must be version 4.65
+input mcf2graph.mf;   %% it must be version 4.66
 % ** use data base file 'mcf_data_base.mcf'
-message "mcf_man_soc 2021.05.23"; message "";
+message "mcf_man_soc 2021.06.06"; message "";
 %------------------------------------------------------------------------
 sw_mframe:=0;
 sw_expand:=0;
@@ -135,13 +135,13 @@ blength:=0mm;
 max_blength:=10mm;
 ratio_thickness_bond:=0.015;
 ratio_atom_bond:=0.36;
-sw_fframe:=1;
+sw_frame:=Outside;
 fmargin:=(2mm,1mm);
 %***********************************************************************
 beginfont("EN:Chain 1")
   fsize:=(60mm,17mm);
-  sw_numberB:=1;
-  numberB_end:=6;
+  sw_numbering:=Bond;
+  numbering_end:=6;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<15,-30,45,-45,60,$300,$0,
@@ -159,8 +159,8 @@ endfont
 %***********************************************************************
 beginfont("EN:Chain 2")
   fsize:=(60mm,17mm);
-  sw_numberB:=1;
-  numberB_end:=6;
+  sw_numbering:=Bond;
+  numbering_end:=6;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<-30,!6,
@@ -182,7 +182,7 @@ beginfont("EN:Jump and Branch")
   fsize:=(60mm,16mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<-30,!6,@3,0,!,@5,-30)
@@ -191,7 +191,7 @@ endfont
 beginfont("EN:Jump and Branch")
   fsize:=(60mm,16mm);
   fmargin:=(2mm,2mm);
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   sw_trimming:=1;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
@@ -201,9 +201,9 @@ endfont
 beginfont("EN:branch1")
   fsize:=(60mm,16mm);
   fmargin:=(2mm,2mm);
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   sw_trimming:=1;
-  numberA_end:=10;
+  numbering_end:=10;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<30,!10,@2,\,!,@4,*\,!,@6,\*,!,@8,\\,!,@10,*\*,!)
@@ -213,8 +213,8 @@ beginfont("EN:branch2")
   fsize:=(60mm,20mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberA:=1;
-  numberA_end:=7;
+  sw_numbering:=Atom;
+  numbering_end:=7;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<30,!6,@2,\~dr,!,@4,\`1.5,-90,@6,15,-60)
@@ -224,7 +224,7 @@ beginfont("EN:Connect atom")
   fsize:=(60mm,20mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   ratio_chain_ring:=1;
 %----------------------------------------------------------------------
   MC(<-30,!6,@3,\,!3,&6~bd,@9,&4~bz)
@@ -234,7 +234,7 @@ beginfont("EN:ring")
   fsize:=(60mm,20mm);
   sw_trimming:=1;
   fmargin:=(2mm,3mm);
-  sw_numberB:=1;
+  sw_numbering:=Bond;
 %----------------------------------------------------------------------
   MC(?6)
 endfont
@@ -243,12 +243,12 @@ beginfont("EN:rotate 1")
   fsize:=(60mm,20mm);
   fmargin:=(2mm,3mm);
   sw_trimming:=1;
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   ratio_chain_ring:=1;
-  numberB_end:=7;
+  numbering_end:=7;
     defaultscale:=0.5;
     labeloffset:=2bp;
-  MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1,2,3,4,5,6,7}=vf,
+  MC(#1,0,0,<90,0,<-90,0,<$315,0,<$90,0,<$0,0,{1--7}=vf,
       {3,4^180}:/_~dt)
   add(
     drawarrow B8/*.7{B8left}..{B3left}B3/*.7;   label.urt("90",B8/*.7);
@@ -335,13 +335,13 @@ endfont
 %***********************************************************************
 beginfont("EN:change bond length1")
   fsize:=(75mm,10mm);
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   MC(<-30,!2,!4`1.2,!2)
 endfont
 %***********************************************************************
 beginfont("EN:change bond length2")
   fsize:=(75mm,10mm);
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   MC(<-30,!2,#1.2,!4,##,!2)
 endfont
 %***********************************************************************
@@ -349,7 +349,7 @@ beginfont("EN:change ring length")
   fsize:=(60mm,20mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   MC(?6,@4,\,?6`1.2)
 endfont
 %***********************************************************************
@@ -361,16 +361,17 @@ endfont
 %***********************************************************************
 beginfont("EN:change atom")
   fsize:=(70mm,10mm);
-  MCat(0,0.5)(<30,!4,2:O,{3,4}:N)
-  sw_numberA:=1;
-  MCat(1,0.5)(<30,!4,2:O,{3,4}:N)
+  msize:=(0.48,1);
+  MCat(0,0.5)(<30,!5,2:O,{3--5}:N)
+  sw_numbering:=Atom;
+  MCat(1,0.5)(<30,!5,2:O,{3--5}:N)
 endfont
 %***********************************************************************
 beginfont("EN:change atom brock address 1")
   fsize:=(70mm,15mm);
   fmargin:=(3mm,1.5mm);
   MCat(0,.5)(?6,@4,\,|,?6,2:O)
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   msize:=(1,.88);
   MCat(1,.5)(?6,@4,\,?6)
 endfont
@@ -379,7 +380,7 @@ beginfont("EN:change atom brock address 2")
   fsize:=(70mm,15mm);
   fmargin:=(3mm,1.5mm);
   MCat(0,.5)(?6,@4,\,|,?6,||,2:N)
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   msize:=(1,.88);
   MCat(1,.5)(?6,@4,\,?6)
 endfont
@@ -388,7 +389,7 @@ beginfont("EN:change atom absolute address")
   fsize:=(70mm,15mm);
   fmargin:=(3mm,1.5mm);
   MCat(0,.5)(?6,@4,\,?6,$2:N)
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   msize:=(1,.88); 
   MCat(1,.5)(?6,@4,\,?6)
 endfont
@@ -397,7 +398,7 @@ beginfont("EN:change atom relative adress")
   fsize:=(70mm,15mm);
   fmargin:=(3mm,1.5mm);
   MCat(0,.5)(?6,@4,\,?6,-2:N)
-  sw_numberA:=3;
+  sw_numbering:=Atom+Inverse;
   msize:=(1,.88);
   MCat(1,.5)(?6,@4,\,?6)
 endfont
@@ -412,32 +413,32 @@ beginfont("EN:fused ring")
   fsize:=(60mm,18mm);
   fmargin:=(2mm,1.5mm);
   sw_trimming:=1;
-  sw_numberB:=1;
-  MC(<30,?6,3=?6,3=dt,{7,8,9,10,11}=bd)
+  sw_numbering:=Bond;
+  MC(<30,?6,3=?6,3=dt,{7--11}=bd)
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:change ring length")
   fsize:=(60mm,25mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   MC(?6,@4,\,?6`1.2,5=?6,11=?6,
-      {14,15,16,17,18,19,20,21,22,23}=bd,{5,11}=dt)
+      {14--23}=bd,{5,11}=dt)
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:fused large 6 ring")
   fsize:=(60mm,18mm);
   fmargin:=(2mm,1.5mm);
   margin_top_bottom:=1.5mm;
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   sw_trimming:=1;
-  MC(<30,?6,3=?6[13],3=dt,{7,8,9,10,11}=bd)
+  MC(<30,?6,3=?6[13],3=dt,{7--11}=bd)
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:fuse multi ring")
   fsize:=(70mm,20mm);
   fmargin:=(2mm,2mm);
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   sw_trimming:=1;
   MC(<30,?6,{-3,-4,-4,-2,-2,-4,-4}=?6,{4,8,13,20,25,28,33}=dt)
 endfont
@@ -445,12 +446,12 @@ endfont
 beginfont("EN:fused ring 2")
   fsize:=(75mm,20mm);
   fmargin:=(2mm,2mm);
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   msize:=(1,.9);
-  MCat( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12,13,14,15}=bd)
+  MCat( 0,.5)(<30,?6,3=?6,(11,4)=?6[4],{11,4}=dt,{12--15}=bd)
   add(defaultscale:=0.4; label("(1)",p0);)
   msize:=(1,.9);
-  MCat(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],{11,4}=dt,{12,13,14}=bd)
+  MCat(.5,.5)(<30,?6,3=?6,(11,4)=?5[3],{11,4}=dt,{12--14}=bd)
   add(defaultscale:=0.4; label("(2)",p0);)
   msize:=(1,.9);
   MCat( 1,.5)(<30,?6,3=?6,(11,4)=?4[2],{11,4}=dt,{12,13}=bd)
@@ -460,8 +461,8 @@ endfont
 beginfont("EN:fused ring 3")
   fsize:=(60mm,20mm);
   fmargin:=(2mm,2mm);
-  sw_numberB:=1;
-  MCat(0,1)(?6,{3,10}=?6,(16,4)=?6[3],{16,4}=dt,{17,18,19}=bd)
+  sw_numbering:=Bond;
+  MCat(0,1)(?6,{3,10}=?6,(16,4)=?6[3],{16,4}=dt,{17--19}=bd)
   add(defaultscale:=0.4; label("(1)",p0);)
   MCat(1,0)(?6,{3,10}=?6,(16,4)=?5[2],{16,4}=dt,{17,18}=bd)
   add(defaultscale:=0.4; label("(2)",p0);)
@@ -471,7 +472,7 @@ beginfont("EN:fused ring 4")
   fsize:=(60mm,22mm);
   fmargin:=(2mm,2mm);
   sw_trimming:=1;
-  sw_numberB:=1;
+  sw_numbering:=Bond;
   MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2],{21,4}=dt,{22,23}=bd)
 endfont
 %***********************************************************************
@@ -479,8 +480,8 @@ beginfont("EN:Spiro ring ")
   sw_trimming:=1;
   fsize:=(60mm,18mm);
   fmargin:=(2mm,3mm);
-  sw_numberA:=1;
-  numberA_end:=7;
+  sw_numbering:=Atom;
+  numbering_end:=7;
   ratio_chain_ring:=1;
   MC(<30,!6,@4,?5)
 endfont
@@ -513,9 +514,9 @@ endfont
 beginfont("EN:group 3")
   fsize:=(80mm,18mm);
   fmargin:=(2mm,2mm);
-  sw_numberA:=1;
+  sw_numbering:=Atom;
   sw_trimming:=1;
-  numberA_end:=17;
+  numbering_end:=17;
   MC(<30,!16,2:/_,4:/!,6:/!2,10:/iPr,14:/tBu,16:/Ph^-60)
 endfont
 %***********************************************************************
@@ -523,14 +524,14 @@ beginfont("EN:group 4")
   fsize:=(60mm,18mm);
   sw_trimming:=1;
   fmargin:=(2mm,2mm);
-  sw_numberA:=1; numberA_end:=9;
+  sw_numbering:=Atom; numbering_end:=9;
   MC(<30,!8`1,{2~wf,4~zf,6^-30,8^$120}:/_)
 endfont
 %***********************************************************************
 beginfont("EN:group 5")
   fsize:=(60mm,18mm);
   sw_trimming:=1;
-  sw_numberA:=1; numberA_end:=8;
+  sw_numbering:=Atom; numbering_end:=8;
   MC(<-30,!7`1,3:/_`2^30,5:/!2>lr,7:/!2>rl)
 endfont
 %***********************************************************************
@@ -607,6 +608,13 @@ beginfont("EN:Move position")
   )
 endfont
 %***********************************************************************
+beginfont("EN:Serial number")
+  fsize:=(75mm,14mm);
+  max_blength:=8mm;
+  sw_numbering:=Atom; numbering_end:=15;
+  MC(<30,!14,{2,6--10,14}:/_~bd`0.5)
+endfont
+%***********************************************************************
 beginfont("EN:Change color")
   fsize:=(50mm,20mm);
   max_blength:=8mm;
@@ -635,7 +643,7 @@ beginfont("EN:mangle")
 endfont
 %***********************************************************************
 beginfont("EN:blength=0")
-  sw_fframe:=3;
+  sw_frame:=Bothside;
   fsize:=(40mm,15mm);
   MC(<30,Ph)
   ext(pickup pencircle scaled 0.2pt; 
@@ -647,7 +655,7 @@ beginfont("EN:blength=0")
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:0<blength=<1")
-  sw_fframe:=3;
+  sw_frame:=Bothside;
   fsize:=(40mm,15mm);
   blength:=0.1;
   MC(<30,Ph)
@@ -660,7 +668,7 @@ beginfont("EN:0<blength=<1")
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:blength>1")
-  sw_fframe:=3;
+  sw_frame:=Bothside;
   fsize:=(40mm,15mm);
   blength:=8mm;
   MC(<30,Ph)
@@ -673,8 +681,7 @@ beginfont("EN:blength>1")
 endfont
 %***********************************************************************
 beginfont("EN:msize=(1)")
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fsize:=(40mm,15mm);
   msize:=(1,1);
   MC(<30,Ph)
@@ -687,8 +694,7 @@ beginfont("EN:msize=(1)")
 endfont
 %------------------------------------------------------
 beginfont("EN:msize=(0.25,1)")
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fsize:=(40mm,15mm);
   msize:=(0.25,1);
   MC(<30,Ph)
@@ -701,8 +707,7 @@ beginfont("EN:msize=(0.25,1)")
 endfont
 %------------------------------------------------------
 beginfont("EN:msize=(11mm,11mm)")
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fsize:=(40mm,15mm);
   msize:=(11mm,11mm);
   MC(<30,Ph)
@@ -715,8 +720,7 @@ beginfont("EN:msize=(11mm,11mm)")
 endfont
 %***********************************************************************
 beginfont("EN:mposition")
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fsize:=(40mm,15mm);
   msize:=(1,0.8);
   mposition:=(0.5,0.5);
@@ -724,8 +728,7 @@ beginfont("EN:mposition")
 endfont
 %-----------------------------------------------------
 beginfont("EN:mposition")
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fsize:=(40mm,15mm);
   msize:=(1,0.8);
   mposition:=(1,0);
@@ -733,7 +736,7 @@ beginfont("EN:mposition")
 endfont
 %-----------------------------------------------------
 beginfont("EN:mposition")
-  sw_mframe:=1;
+  sw_frame:=sw_frame+Mol;
   fsize:=(40mm,15mm);
   msize:=(1,0.8);
   mposition:=(10mm,4mm);
@@ -749,7 +752,7 @@ endfont
 %***********************************************************************
 beginfont("EN:Font size")
   fsize:=(40mm,12mm);
-  sw_fframe:=1;
+  sw_frame:=Outside;
   MC(<30,Ph)
   ext(pickup pencircle scaled 0.2pt; 
       for i=0 upto w/mm: draw (i*mm,0)--(i*mm,-.5mm); endfor
@@ -761,8 +764,7 @@ endfont
 %***********************************************************************
 beginfont("EN:fmargin")
   fsize:=(40mm,12mm);
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   fmargin:=(10mm,1mm);
   MC(<30,Ph)
   ext(pickup pencircle scaled 0.2pt; 
@@ -833,7 +835,7 @@ endfont
 %***********************************************************************
 beginfont("EN:max_blength")
   fsize:=(60mm,25mm);
-  sw_mframe:=1;
+  sw_frame:=sw_frame+Mol;
   max_blength:=6mm;
   MCat(0, .5)(<30,Ph)
   max_blength:=8mm;
@@ -924,7 +926,7 @@ endfont
 %***********************************************************************
 beginfont("EN:ratio_atomgap_atom")
   fsize:=(70mm,12mm);
-  sw_aframe:=1;
+  sw_frame:=sw_frame+Atom;
   ratio_atomgap_atom:=0.00;
   MCat(0, .5)(<30,!2`0.5,2:O)
   ratio_atomgap_atom:=0.050;    %<<== default
@@ -968,36 +970,34 @@ beginfont("EN:ratio_hashgap_bond")
   )
 endfont
 %***********************************************************************
-beginfont("EN:Switwch numberingA")
+beginfont("EN:Switwch numbering atom")
   fsize:=(60mm,20mm);
   ratio_chain_ring:=1;
-  numberA_start:=3;  numberA_end:=8;
-  sw_numberA:=1; MCat(.5,.9)(<-30,!9)
-  sw_numberA:=2; MCat(.5,.5)(<-30,!9)
-  sw_numberA:=3; MCat(.5,.1)(<-30,!9)
+  numbering_start:=3; numbering_end:=8;
+  sw_numbering:=Atom;         MCat(.5,.9)(<-30,!9)
+  sw_numbering:=Atom+Brock;   MCat(.5,.5)(<-30,!9)
+  sw_numbering:=Atom+Inverse; MCat(.5,.1)(<-30,!9)
 endfont
 %***********************************************************************
-beginfont("EN:Switwch numberingB")
+beginfont("EN:Switwch numbering bond")
   fsize:=(60mm,20mm);
   ratio_chain_ring:=1;
-  numberB_start:=3;  numberB_end:=8;
-  sw_numberB:=1; MCat(.5,.9)(<-30,!9)
-  sw_numberB:=2; MCat(.5,.5)(<-30,!9)
-  sw_numberB:=3; MCat(.5,.1)(<-30,!9)
+  numbering_start:=3; numbering_end:=8;
+  sw_numbering:=Bond;         MCat(.5,.9)(<-30,!9)
+  sw_numbering:=Bond+Brock;   MCat(.5,.5)(<-30,!9)
+  sw_numbering:=Bond+Inverse; MCat(.5,.1)(<-30,!9)
 endfont
 %***********************************************************************
 beginfont("EN:Switwch trimming")
   fsize:=(60mm,20mm);
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   msize:=(1,.7); MCat(.2,.3)(Ph)
                  MCat(.8,.7)(Ph)
 endfont
 %-----------------------------------------------------------------------
 beginfont("EN:Switwch trimming")
   fsize:=(60mm,20mm);
-  sw_fframe:=3;
-  sw_mframe:=1;
+  sw_frame:=Bothside+Mol;
   sw_trimming:=1;
   msize:=(1,.7);
   MCat(.2,.3)(Ph)
@@ -1011,50 +1011,50 @@ beginfont("EN:Switwch Expand")
   MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
 endfont
 %***********************************************************************
-beginfont("EN:Switwch group off")
+beginfont("EN:Switwch abbreviate group")
   fsize:=(60mm,12mm);
   MCat(.15, .5)(<30,Ph,4:/Cl,3:/F)
-  sw_group_off:=1;
+  sw_abbreviate:=Group;
   MCat(.85, .5)(<30,Ph,4:/Cl,3:/F)
 endfont
 %***********************************************************************
-beginfont("EN:Switwch bondtype off")
+beginfont("EN:Switwch abbreviate bondtype")
   fsize:=(60mm,12mm);
   MCat(.15, .5)(<30,Ph,4:/Cl,3:/F)
-  sw_single:=1;
+  sw_abbreviate:=Bond;
   MCat(.85, .5)(<30,Ph,4:/Cl,3:/F)
 endfont
 %***********************************************************************
 beginfont("EN:Switwch font frame 1")
   fsize:=(30mm,10mm);
   fmargin:=(5mm,1.5mm);
-  sw_fframe:=1;
+  sw_frame:=Outside;
   MC(<30,Ph)
 endfont
 beginfont("EN:Switwch font frame 2")
   fsize:=(30mm,10mm);
   fmargin:=(5mm,1.5mm);
-  sw_fframe:=2;
+  sw_frame:=Inside;
   MC(<30,Ph)
 endfont
 beginfont("EN:Switwch font frame 3")
   fsize:=(30mm,10mm);
   fmargin:=(5mm,1.5mm);
-  sw_fframe:=3;
+  sw_frame:=Bothside;
   MC(<30,Ph)
 endfont
 %***********************************************************************
 beginfont("EN:Switwch molecular frame")
-  sw_fframe:=1;
+  sw_frame:=Outside;
   fsize:=(40mm,11mm);
   msize:=(1,1);
-  sw_mframe:=1;
+  sw_frame:=sw_frame+Mol;
   MC(<30,Ph)
 endfont
 %***********************************************************************
 beginfont("EN:Switwch atom frame")
   fsize:=(60mm,10mm);
-  sw_aframe:=1;
+  sw_frame:=sw_frame+Atom;
   MC(<30,COOH,!,COOH)
 endfont
 %***********************************************************************
@@ -1091,8 +1091,7 @@ ratio_thickness_bond:=save_ratio;
 beginfont("EN:MC() ")
   fmargin:=(0.5mm,0.5mm);
   fsize:=(40mm,15mm);
-  sw_fframe:=1;
-  sw_mframe:=1;
+  sw_frame:=Outside+Mol;
   MC(<30,Ph,4:/Cl,3:/F)
 endfont
 %-----------------------------------------------------------------------
@@ -1101,7 +1100,7 @@ beginfont("EN:MCat()")
   fsize:=(60mm,40mm);
   fmargin:=(3mm,3mm);
   blength:=0.07;
-  sw_fframe:=1;
+  sw_frame:=Outside;
   mangle:=0;
   for i=1 step -0.5 until 0:
     for j=0 step 0.33 until 1:
@@ -1129,7 +1128,7 @@ endfont
 %***********************************************************************
 beginfont("EN:add() 1")
  fsize:=(70mm,40mm);
- sw_aframe:=sw_mframe:=1;
+ sw_frame:=sw_frame+Atom+Mol;
  max_blength:=10mm;
  msize:=(.91,.9);
  MCat(.5,.85)(<30,?6,{2,5}:O)
@@ -1309,7 +1308,6 @@ beginfont("EN:Quinine","MW:324.42",
   if check(mc)=0: MC(scantokens(mc)) fi
 endfont
 %***************************************************************************
-sw_calc:=1;
 ext(defaultfont:="uhvr8r"; defaultscale:=.75;
   label.urt("NO = "&decimal(char_num),(0.01w,0.55h));
   label.urt("EN = "&inf_EN           ,(0.01w,0.52h));
@@ -1327,8 +1325,6 @@ ext(defaultfont:="uhvr8r"; defaultscale:=.75;
             (0.01w,0.25h));
   label.urt("ratio_chain_ring = "&decimal(ratio_chain_ring),
             (0.01w,0.22h));
-  label.urt("sw_fframe = "&decimal(sw_fframe),(0.01w,0.19h));
-  label.urt("sw_aframe = "&decimal(sw_aframe),(0.01w,0.16h));
   label.urt("sw_trimming = "&decimal(sw_trimming),(0.01w,0.13h));
   label.urt("mc1= "&mc1,(0.01w,0.09h));
   label.urt("mc2= "&mc2,(0.01w,0.06h));
@@ -1340,7 +1336,6 @@ beginfont("EN:Ampicillin","MW:349.405",
 ": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??,",
 ": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph"
 )
-  sw_output:=None;
   fsize:=(72mm,85mm);
   blength:=6mm;
   if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
@@ -1350,7 +1345,6 @@ beginfont("EN:Cholesterol","MW:386.65",
   ": <30,?6,{-4,-2}=?6,-4=?5,7=dl,            ",
   ": 10:/*H^180,11:/*H^-60,17:/*H^-54,        ",
   ": 1:*/OH,{4,12}:*/_^60,@-1,18,/*_,-60,!3,?!")
-  sw_output:=None;
   fsize:=(72mm,85mm);
   blength:=5.5mm;
   if check(mc)=0: MCat(0.5,0.95)(scantokens(mc)) fi
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index abe6a2b494b..77141eb4dcf 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 c1c525a118f..005dbfe129e 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 2021.05.23
+%  Molecular Coding Format manual                by  Akira Yamaji 2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 \documentclass[a4paper]{article}
 \usepackage[pdftex]{graphicx}
@@ -12,7 +12,7 @@
 %----------------------------------------------------------------------------
 %%%%\pdfpkresolution=1200
 %----------------------------------------------------------------------------
-%%%%\edef\fext{pk}%   **** for proof print (fast)
+%%%%\edef\fext{pk}%   **** for proof print (fast, not complete output)
 \edef\fext{mps}%  **** for final print (it takes long time)
 %----------------------------------------------------------------------------
 %%%%\edef\fext{png}%
@@ -609,11 +609,8 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
 \index{SO}%
 \index{SOO}%
 \begin{verbatim}
-NH  : N,/H~nl
-N!  : N,/_
-N!2 : N,/!
-SO  : S,//O
-SOO : S,//O^35,//^-35
+NH  : N,/H~nl    N! : N,/_     N!2 : N,/!
+SO  : S,//O    SOO : S,//O^35,//^-35
 
 <-30,!2,NH,!2,N!,!2,N!2,SO,!2,SOO,!
 \end{verbatim}
@@ -623,14 +620,11 @@ SOO : S,//O^35,//^-35
 \index{??"!}%
 \index{N?"!}%
 \begin{verbatim}
-?!   : /_,!
-??   : /_^35,/_-35
-/?!  : isopropyl
-/??! : tert-butyl
+?!   : /_,!           ??   : /_^35,/_-35
+/?!  : isopropyl      /??! : tert-butyl
 /N?! : dimethylamino
 
-<30,!9`1,?!,!,??,!,
-2:??,4:/??,6:/??!,8:/N?!
+<30,!9`1,?!,!,??,!,2:??,4:/??,6:/??!,8:/N?!
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
@@ -645,8 +639,6 @@ MC(<30,?6,{4,6}:/iBuOH)
 %-----------------------------------------------------------------------------
 \subsubsection{Parts inline definition}
 \begin{verbatim}
-<30,!, /'(!,/_,!,OH),!
-
 <30,!8,{2,6}:/'(!,/_,!,OH)
 \end{verbatim}
 \MCFgraph
@@ -661,6 +653,15 @@ MC(<30,?6,{4,6}:/iBuOH)
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
+\subsubsection{Serial number}
+\index{--}%
+\begin{verbatim}
+6--10 : 6,7,8,9,10
+<30,!14,{2,6--10,14}:/_~bd`0.5
+\end{verbatim}
+\MCFgraph
+\newpage
+%-----------------------------------------------------------------------------
 \subsubsection{Change color}
 \index{red}%
 \index{blue}%
@@ -884,35 +885,40 @@ default:  ratio_hashgap_bond=0.12
 \subsection{Drawing mode}
 %-----------------------------------------------------------------------------
 \subsubsection{Numbering atom}
-\index{numberA}%
-\index{numberA\_start}%
-\index{numberA\_end}%
+\index{sw\_numbering}%
+\index{Atom}%
+\index{Brock}%
+\index{Inverse}%
+\index{numbering\_start}%
+\index{numbering\_end}%
 \begin{verbatim}
-numberA_start:=3; numberA_end:=8;
-default: sw_numberA=0 :
-  numberA_start=1 numberA_end=4095
+sw_numbering=Atom
+numbering_start:=3; numbering_end:=8;
+default: sw_numbering=0 :
 \end{verbatim}
 \MCFgraph
 \begin{picture}(5,20)
-\put(0,14){\makebox[5mm]{\tt 1}}
-\put(0, 8){\makebox[5mm]{\tt 2}}
-\put(0, 2){\makebox[5mm]{\tt 3}}
+\put(0,14){\makebox[9mm]{\tt Atom}}
+\put(0, 8){\makebox[12mm]{\tt +Brock}}
+\put(0, 2){\makebox[16mm]{\tt +Inverse}}
 \end{picture}
 %-----------------------------------------------------------------------------
 \subsubsection{Numbering bond}
-\index{numberB}%
-\index{numberB\_start}%
-\index{numberB\_end}%
+\index{numbering\_start}%
+\index{numbering\_end}%
+\index{Bond}%
+\index{Brock}%
+\index{Inverse}%
 \begin{verbatim}
-numberB_start:=3; numberB_end:=8;
-default: sw_numberB=0 :
-  numberB_start=1 numberB_end=4095
+sw_numbering=Bond
+numbering_start:=3; numbering_end:=8;
+default: sw_numbering=0 :
 \end{verbatim}
 \MCFgraph
 \begin{picture}(5,20)
-\put(0,14){\makebox[5mm]{\tt 1}}
-\put(0, 8){\makebox[5mm]{\tt 2}}
-\put(0, 2){\makebox[5mm]{\tt 3}}
+\put(0,14){\makebox[9mm]{\tt Bond}}
+\put(0, 8){\makebox[12mm]{\tt +Brock}}
+\put(0, 2){\makebox[16mm]{\tt +Inverse}}
 \end{picture}
 %-----------------------------------------------------------------------------
 \subsubsection{Trimming mode}
@@ -941,55 +947,60 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
-\subsubsection{Group off mode}
-\index{sw\_group\_off}%
+\subsubsection{Abbreviate group}
+\index{Group}%
+\index{sw\_abbreviate}%
 \begin{verbatim}
-** default: sw_group_off=0
+** default: sw_abbreviate=Group
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
-\subsubsection{Single bond mode}
-\index{sw\_single}%
+\subsubsection{Abbreviate bond type}
+\index{Bond}%
+\index{sw\_abbreviate}%
 \begin{verbatim}
-** default: sw_single=0
+** default: sw_abbreviate=Bond
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
 \subsection{Frame}
 %-----------------------------------------------------------------------------
 \subsubsection{Font frame}
-\index{sw\_fframe}%
+\index{sw\_frame}%
+\index{Bothside}%
+\index{Inside}%
+\index{Outside}%
 \begin{verbatim}
-** default:sw_fframe=0
+** default:sw_frame=0
 (Draw font frame)
 fmargin:=(5mm,2mm);
-sw_fframe=1
+sw_frame=Outside
 \end{verbatim}
 \MCFgraph
 \begin{verbatim}
 (Frame inside margin)
-sw_fframe=2
+sw_frame=Inside
 \end{verbatim}
 \MCFgraph
 \begin{verbatim}
 (Draw both frame)
-sw_fframe=3
+sw_frame=Bothside=Inside+Outside
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
 \subsubsection{Molecular frame}
-\index{sw\_mframe}%
+\index{Mol}%
 \begin{verbatim}
-sw_mframe=1
-** default:sw_mframe=0
+sw_frame=Mol
+** default:sw_frame=0
 \end{verbatim}
 \MCFgraph
 %-----------------------------------------------------------------------------
 \subsubsection{Atom frame}
-\index{sw\_aframe}%
+\index{Atom}%
 \begin{verbatim}
-sw_aframe=1
-** default: sw_aframe=0
+sw_frame=Atom
+** default: sw_frame=0
 
 MC(<30,COOH,!,COOH)
 \end{verbatim}
@@ -1067,7 +1078,7 @@ d: y axis position
 
 defaultsize:=5bp;
 fsize:=(60mm,40mm); fmargin:=(3mm,3mm);
-blength:=0.07; sw_fframe:=1;
+blength:=0.07; sw_frame:=Outside;
 mangle:=0;
 for i=1 step -0.5 until 0:
   for j=0 step 0.33 until 1:
@@ -1189,7 +1200,7 @@ a /* b : point b of a
 
 beginfont("EN:add() 1")
  fsize:=(70mm,40mm);
- sw_aframe:=sw_mframe:=1;
+ sw_frame:=Bothside;
  max_blength:=10mm;
  msize:=(.91,.9);
  MCat(.5,.85)(<30,?6,{2,5}:O)
@@ -1476,7 +1487,7 @@ endfont
 %-------------------------------------------------------------------------
 input mcf2graph.mf;                                     > input main macro
 %-------------------------------------------------------------------------
-sw_output:=Info1;     % aux(information) file output on > global setting
+sw_output:=Info;      % aux(information) file output on > global setting
 %%%% sw_output:=Report;                                 > report output
 %%%% sw_output:=MOL2k;                                  > MOL file output
 fsize:=(60mm,40mm);   %  (font width,font height)       >
@@ -1607,20 +1618,20 @@ Cat:biological;EN:Linoleic acid;MW:280.45
 \index{mi}%
 \index{w}%
 \index{h}%
-\index{Info1}%
-\index{Info2}%
-\index{Info\_t}%
+\index{Info}%
+\index{Table}%
+\index{Temp}%
 \begin{verbatim}
-  sw_output:=Info1;        %% tag1:var1;tag2:var2
-  sw_output:=Info2;        %% tag1;tag2 var1;var2
-  sw_output:=Info_t;       %% tag1:var1;tag2:var2 / output 'temp-info.aux'
-  sw_output:=Info_Mcode_t; %% output 'temp-info.aux','temp-mc.aux'
-  sw_output:=None_Info_t;  %% output font,'temp-mc.aux'
+  sw_output:=Info;             %% tag1:var1;tag2:var2
+  sw_output:=Info+Table;       %% tag1;tag2 var1;var2
+  sw_output:=Info+Temp;        %% tag1:var1;tag2:var2 / output 'temp-info.aux'
+  sw_output:=Info+Mcode+Temp;  %% output 'temp-info.aux','temp-mc.aux'
+  sw_output:=Font+Info+Temp;   %% output font,'temp-info.aux','temp-mc.aux'
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
-  >mpost -s ahlength=1 FILENAME  (sw_output=Info1)
-  >mpost -s ahlength=2 FILENAME  (sw_output=Info2)
+  >mpost -s ahlength=1 FILENAME  (sw_output=Info)
+  >mpost -s ahlength=2 FILENAME  (sw_output=Info+Table)
 \end{verbatim}
 \paragraph{(Sourse)}
 \begin{verbatim}
@@ -1636,13 +1647,13 @@ tag1:="J"; tag2:="C"; tag3:="mw"; tag4:="fm"; tag5:="EN";
 \paragraph{(Output)}
 \index{aux\_delimiter}%
 \begin{verbatim}
-(sw_output=Info1)
+(sw_output=Info)
 F:mcf_man_soc;C:1;mw:349.40462;fm:C16H19N3O4S;EN:Ampicillin
 F:mcf_man_soc;C:2;mw:386.6532;fm:C27H46O;EN:Cholesterol
 F:mcf_exa_soc;C:3;mw:470.5113;fm:C26H30O8;EN:Limonin
 F:mcf_exa_soc;C:4;mw:536.8722;fm:C40H56;EN:beta-Carotene
 
-(sw_output=Info2)
+(sw_output=Info+Table)
 F;C;mw;fm
 mcf_man_soc;1;349.40462;C16H19N3O4S;Ampicillin
 mcf_man_soc;2;386.6532;C27H46O;Cholesterol
@@ -1742,26 +1753,22 @@ endfont
 \subsection{MCF aux file output}
 \paragraph{(Insert option parameter setting)}
 \index{Mcode}%
+\index{Temp}%
 \begin{verbatim}
 sw_output:=Mcode;
-sw_output:=Mcode_t;           %%  output 'temp-mc.aux'
-sw_output:=Info_Mcode_t;      %%  output 'temp-info.aux','temp-mc.aux'
-sw_output:=None_Mcode_t;      %%  output font,'temp-mc.aux'
-sw_output:=None_Info_Mcode_t; %%  output font,'temp-info.aux','temp-mc.aux'
+sw_output:=Mcode+Temp;             %%  output 'temp-mc.aux'
+sw_output:=Info+Mcode+Temp;        %%  output 'temp-info.aux','temp-mc.aux'
+sw_output:=Font+Mcode+Temp;        %%  output font,'temp-mc.aux'
+sw_output:=Font+Info+Mcode+Temp;   %%  output font,'temp-info.aux','temp-mc.aux'
 \end{verbatim}
 \paragraph{(Command line)}
-\index{Mcode\_t}%
 \begin{verbatim}
   >mpost -s ahlength=8 FILENAME  (sw_output=Mcode)
 \end{verbatim}
 \paragraph{(file name)}
 \begin{verbatim}
-sw_output=Mcode
-file name = 'mcf_exa_soc-001-Adenine-mc.aux'
-            'jobname    -nnn-EN     -mc.auc'
-
-sw_output=Mcode_t
-file name = 'temp-mc.aux'
+sw_output=Mcode        ** file name = 'jobname-nnn-EN-mc.aux'
+sw_output=Mcode+Temp   ** file name = 'temp-mc.aux'
 
 (result)
 <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
@@ -1771,7 +1778,7 @@ file name = 'temp-mc.aux'
 %-----------------------------------------------------------------------
 \begin{verbatim}
 beginfont("f:mcf_data_base","t:EN","v:Adenine")
-  sw_output:=Mcode_t;
+  sw_output:=Mcode+Temp;
 endfont
 \end{verbatim}
 %-----------------------------------------------------------------------
@@ -1779,7 +1786,7 @@ endfont
 %-----------------------------------------------------------------------
 \begin{mplibcode}
   beginfont("f:mcf_data_base","t:EN","v:Vancomycin")
-    sw_output:=Mcode_t;     %%%% output temp-mc.aux %%%%
+    sw_output:=Mcode+Temp;     %%%% output temp-mc.aux %%%%
   endfont;
 \end{mplibcode}
 %-----------------------------------------------------------------------
@@ -1809,7 +1816,8 @@ file name = 'temp-mc.aux'
 \index{sw\_output}%
 \index{Report}%
 \begin{verbatim}
-  sw_output:=Report;
+  sw_output:=Report;        ** file name = 'jobname-report.aux'
+  sw_output:=Report+Temp;   ** file name = 'temp-report.aux'
 \end{verbatim}
 \paragraph{(Command line)}
 \begin{verbatim}
@@ -1922,7 +1930,7 @@ M  END
 %----------------------------------------------------------------------------
 \newpage
 \subsection{LuaTeX file example}
-\index{None}%
+\index{Font}%
 %############################################################################
 \begin{verbatim}
 \documentclass{article}
@@ -1934,7 +1942,7 @@ M  END
 \mplibnumbersystem{double}%
 \everymplib{%
   if unknown Ph1: input mcf2graph.mf; fi
-  sw_output:=None;  sw_fframe:=4;  max_blength:=4.5mm;
+  sw_output:=Font; max_blength:=4.5mm;
   defaultfont:="uhvr8r"; defaultsize:=8bp; defaultscale:=1;
 }%
 \begin{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 686b14f6d7c..ace65bc7e62 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 17a66be1445..caf7e504923 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    2021.05.23
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2021.06.06
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% ** mcf2graph.mf must be version 4.65
+% ** mcf2graph.mf must be version 4.66
 % ** use mcf_data_base.mcf
 \documentclass{article}
 %------------------------------------------------------------------------------
@@ -15,8 +15,7 @@
   if unknown Ph1: input mcf2graph.mf; fi
   outputformat:="eps";
   tag1:="J"; tag2:="C"; tag3:="fm"; tag4:="mw"; tag5:="EN"; tag6:="MW";
-  sw_output:=None;
-  sw_fframe:=4;
+  sw_output:=Font;
   max_blength:=4.5mm;
   defaultfont:="uhvr8r";
   defaultsize:=8bp;
@@ -75,7 +74,7 @@ endfont
 \noindent%
 \begin{verbatim}
 beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
-          "MW:819",":,@38,*\,-1=red")  %%%% add methyl group (color red) %%%%
+          "MW:819",":,38:*/_,65=red")  %%%% add methyl group (color red) %%%%
   fsize:=(150mm,35mm);
   if check(mc)=0: MC(scantokens(mc)) fi
   ext(defaultscale:=0.8;
@@ -87,7 +86,7 @@ endfont;
 %----------------------------------------------------------------------------
 \begin{mplibcode}
 beginfont("f:mcf_data_base","t:EN","v:Okadaic acid","EN:Dinophysistoxin-1",
-          "MW:819",":,@38,*\,-1=red")  %%%% add methyl group (color red) %%%%
+          "MW:819",":,38:*/_,65=red")  %%%% add methyl group (color red) %%%%
   fsize:=(150mm,35mm);
   if check(mc)=0: MC(scantokens(mc)) fi
   ext(defaultscale:=0.8;
@@ -200,17 +199,13 @@ endfont
 %--------------------------------------------------------------------------------
 \begin{mplibcode}
   beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    sw_output:=Mcode_t;                      %%%% output temp-mc.aux %%%%
+    sw_output:=Info+Mcode+Temp;           %%%% output temp-info,temp-mc.aux %%%%
   endfont;
-  beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    sw_output:=Info_t;                       %%%% output temp-info.aux %%%%
-    if check(mc)=0: MC(scantokens(mc)) fi
-  endfont
 \end{mplibcode}
 \verbatiminput{temp-mc.aux}                  %%%% input temp-mc.aux %%%%
 \begin{mplibcode}
   beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1;
+    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
     if check(mc)=0: MC(scantokens(mc)) fi    %%%% output font %%%%
   endfont
 \end{mplibcode}
@@ -226,17 +221,13 @@ endfont
 %--------------------------------------------------------------------------------
 \begin{mplibcode}
   beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    sw_output:=Mcode_t;                      %%%% output temp-mc.aux %%%%
+    sw_output:=Info+Mcode+Temp;           %%%% output temp-info,temp-mc.aux %%%%
   endfont;
-  beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    sw_output:=Info_t;                       %%%% output temp-info.aux %%%%
-    if check(mc)=0: MC(scantokens(mc)) fi
-  endfont
 \end{mplibcode}
 \verbatiminput{temp-mc.aux}                  %%%% input temp-mc.aux %%%%
 \begin{mplibcode}
   beginfont("f:mcf_data_base","t:EN","v:Maitotoxin")
-    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_fframe:=1;
+    fsize:=(120mm,60mm); fmargin:=(0,3mm); sw_frame:=Outside;
     if check(mc)=0: MC(scantokens(mc)) fi    %%%% output font %%%%
   endfont
 \end{mplibcode}
@@ -262,7 +253,7 @@ HOCO:='(OH,!,//O,);
 MCat(0.33,   1)(<30,HOCO,!,//O,!2,COOH)                    % Oxaloacetate
 MCat(0.66,   1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165)  % Citrate
 MCat(1,      1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH)      % cis-Aconitate
-MCat(1,   0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH)             % Isocitrate
+MCat(1,   0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH)       % Isocitrate
 MCat(1,   0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH)       % Oxalosuccinate
 MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH)                    % alfa-Ketoglutarate
 MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}")               % Succinyl-CoA
@@ -327,7 +318,7 @@ HOCO:='(OH,!,//O,);
 MCat(0.33,   1)(<30,HOCO,!,//O,!2,COOH)                    % Oxaloacetate
 MCat(0.66,   1)(<30,HOCO,!4,COOH,@-4`1,\,COOH,4:/OH^-165)  % Citrate
 MCat(1,      1)(<30,HOCO,!2,!~dr,!,COOH,@-4`1,\,COOH)      % cis-Aconitate
-MCat(1,   0.55)(<30,HOCO,!4,COOH,@-4,\`1,COOH)             % Isocitrate
+MCat(1,   0.58)(<30,HOCO,!4,COOH,@-4,\`1,COOH,5:/OH)       % Isocitrate
 MCat(1,   0.05)(<30,HOCO,!3,//O,!,COOH,@-4,\`1,COOH)       % Oxalosuccinate
 MCat(0.66,0.05)(<30,HOCO,!3,//O,!,COOH)                    % alfa-Ketoglutarate
 MCat(0.33,0.05)(<30,HOCO,!3,//O,!,"{S-CoA}")               % Succinyl-CoA