mcf2graph (3may17)

git-svn-id: svn://tug.org/texlive/trunk@44168 c570f23f-e606-0410-a88d-b1316a301751

10 files changed, 132 insertions, 114 deletions

diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
index c0c9b264748..acba0eedcf9 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG
@@ -1,6 +1,12 @@
 *******************************************************************************
- Changelog of mcf2graph software package          by Akira Yamaji 2017-03-26
+ Changelog of mcf2graph software package          by Akira Yamaji 2017-05-03
 *******************************************************************************
+[ver. 4.21  / 2017-05-03]
+  -change brock making commands
+     '{','}' => '|<','>|'
+  -improve report output
+  -update MCF syntax manual
+
 [ver. 4.20  / 2017-03-26]
   -change length expression
      length# => length
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README
index 8350956b822..3e300302f68 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    : 4.20 2017-03-26
+ version    : 4.21 2017-05-03
  E-mail     : mcf2graph@gmail.com
  Located at : http://www.ctan.org/pkg/mcf2graph
 ********************************************************************************
@@ -37,7 +37,7 @@
  ( 4) >mpost -s ahangle=3  FILENAME  => output MDL Molfile(V2000)
  ( 5) >mpost -s ahlength=1 FILENAME  => output first definition only (for test)
  ( 6) >mpost -s ahlength=2 FILENAME  => output report
- ( 7) >mpost -s ahlength=3 FILENAME  => use metapost 'label','drawarrow'
+ ( 7) >mpost -s ahlength=3 FILENAME  => use plain.mp 'label','drawarrow'
 
 4. License
  Permission is hereby granted, free of charge, to any person obtaining a copy
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 fcc157f6902..253117e3d1e 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_exa_soc.mf
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2017.03.26
+% Molecular Coding Format for mcf_example.tex   by Akira Yamaji  2017.05.03
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %%% it must be version 4.20 or later
+input mcf2graph.mf;   %%% it must be version 4.21 or later
 %-------------------------------------------------------------------------
 font_wd:=33mm;
 font_ht:=24mm;
@@ -177,9 +177,9 @@ endfont
 beginfont("EN:Rifampicin","MW:822.94")
   MCf(<30,Ph,6:/_^30,5:/OH,|,-6=?5,1:O,3://O,2:/*_^60,
       |,-8=?6,$(2,4)dl,@(1,4)/OH,
-     {,``1,-2\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
+      |<,``1,-2\,NH,60,//O,-60,/_,60~dl,60,60~dl,-60,
       */_,60,/*OH,-60,/*_,60,/*OH,60,*/_^30,-60,
-      60,/*_^30,-53,66,-53~dl,66`1.2,O,},&#8,
+      60,/*_^30,-53,66,-53~dl,66`1.2,O,>|,&#8,
       -4:/*O!,-6*,-30,O,!,//O,!,#11\,!!,N,!,|,?6,@(1,4)N,4:/_)
 endfont
 %***************************************************************************
@@ -211,9 +211,9 @@ beginfont("EN:Luciferin","MW:280.33")
 endfont
 %***************************************************************************
 beginfont("EN:Chlorophyll a","MW:893.509")
-MCf(<54,{,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
+MCf(<54,|<,``1,?5,$(2,5)dl,4:N,3\,54~dl,|,?5,$(2,4)dl,5:N,
    -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
-   -1*,24,/*COO!^15,72,//O,&#1,},
+   -1*,24,/*COO!^15,72,//O,&#1,>|,
    @(2,9,15,20~zf)/_,8:/!,14\,!!,
    #4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
    #21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_)
@@ -237,8 +237,8 @@ beginfont("EN:Lycorine","MW:287.315")
 endfont
 %**************************************************************************
 beginfont("EN:Tetrodotoxine","MW:319.27")
-  MCf({,``1,<60,-90,60,-30`1.15,150,60,&#1,#3*,-135,60,-30`1.15,150,&#4,
-     #10\,O,60`1.33,60,&#3~si_,#8*,-15~si_,O,&#12,},#9*,45,-60,OH,1^120://NH,
+  MCf(|<,``1,<60,-90,60,-30`1.15,150,60,&#1,#3*,-135,60,-30`1.15,150,&#4,
+     #10\,O,60`1.33,60,&#3~si_,#8*,-15~si_,O,&#12,>|,#9*,45,-60,OH,1^120://NH,
      @(5~zf^-15,7,9^-75,12,13~zf)/OH,@(2,6^180)NH)
 endfont
 %***************************************************************************
@@ -344,7 +344,7 @@ beginfont("EN:Pyrethrin I","MW:328.452");
 endfont;
 %***************************************************************************
 beginfont("EN:Erythromycin","MW:733.937");
-MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
+MCf(<30,|<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1,
     14:O,13:/*!,@(1,9)//O,@(2,10)*/_,@(4,6^-35,8,12^35)/*_,
     @(6^35,11,12^-35)*/OH,
     #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/_,4:/OH,5^-35:/O!,
@@ -352,7 +352,7 @@ MCf(<30,{,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
 endfont;
 %**************************************************************************
 beginfont("EN:Paclitaxel","MW:853.918")
-  MCf(?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
+  MCf(?6,5=d,3*,|<,``1,36,45,45,45,45,>|,&#5,-4=?6,-4=?4,||,-1=wb,-3=wf,-1:O,
     @(4^35,4^-35,6)/_,@(3^-60,15)*/OH,8:/*H^-60,9:*/_^60,10://O,
     #1\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
     #7\*,O,-45,//O,60,Ph,#11*\,O,-60,//O,60,#12\*^-15,O,60,//O,-60)
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf
index 40e2e009df5..753b09765a1 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 778404e8594..793bc5f3bb8 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf
@@ -1,7 +1,7 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2017.03.26
+% Molecular Coding Format file for mcf_manual.tex  by Akira.Yamaji 2017.05.03
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-input mcf2graph.mf;   %% it must be version 4.20 or later
+input mcf2graph.mf;   %% it must be version 4.21 or later
 %------------------------------------------------------------------------
 sw_auxout:=0;
 sw_mol_frame:=0;
@@ -481,7 +481,7 @@ beginfont("EN:Make brock")
   font_ht:=8mm;
   sw_clip:=1;
   sw_numberB:=1;
-  MCf(<30,!2,{,``1.2,!2,},!2)
+  MCf(<30,!2,|<,``1.2,!2,>|,!2)
 endfont
 %***********************************************************************
 beginfont("EN:Chain start multi characters")
@@ -1035,7 +1035,7 @@ beginfont("EN:Validamycin")
 endfont
 %***************************************************************************
 beginfont("EN:Paclitaxel","CAS:33069-62-4","FM:C47H51NO14","MW:853.91")
-  MCf(?6,5=d,3*,{,``1,36,45,45,45,45,},
+  MCf(?6,5=d,3*,|<,``1,36,45,45,45,45,>|,
     &#5,-4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
     @(4^35,4^-35,6)/_,@(3^-60,15)*/OH,8:/*H^-60,9:*/_^60,10://O,
     1\,O,!,//O,!,*/OH,!,/Ph,60~wf,NH,-60,//O,60,Ph,
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf
index 341b2fd9b2c..18573240fd8 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 db265456303..8c50cf9dc56 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -530,7 +530,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
    inset hetero atom and substituent
    simultaneously
 
-  <30,!2,NH,!,SO,!,SOO,!3
+  <30,!2,NH,!,SO,!,SOO,!
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -548,10 +548,10 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\
 %-----------------------------------------------------------------------------
 \subsubsection{Make block}
 \begin{verbatim}
-  { : start brock
-  } : end brock
+  |< : start brock
+  >| : end brock
 
-  <30,!2,{,``1.2,!2,},!2
+  <30,!2,|<,``1.2,!2,>|,!2
 \end{verbatim}
 \MCFstructure
 %-----------------------------------------------------------------------------
@@ -1120,12 +1120,12 @@ endfont
 \begin{verbatim}
 label:
  sw_label=0: emulation mode
- sw_label=1: metapost mode
+ sw_label=1: plain.mp mode
  **default sw_label=0
 
 drawarrow & drawdblarrow:
  sw_arrow=0: emulation mode
- sw_arrow=1: metapost mode
+ sw_arrow=1: plain.mp mode
  **default sw_arrow=0
 \end{verbatim}
 %-----------------------------------------------------------------------------
@@ -1276,7 +1276,7 @@ drawarrow & drawdblarrow:
 %-----------------------------------------------------------------------------
 \subsection{Paclitaxel}
 \begin{verbatim}
-  ?6,5=d,3*,{,``1,36,45,45,45,45,},&#5,
+  ?6,5=d,3*,|<,``1,36,45,45,45,45,>|,&#5,
   -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||,
   @(4^35,4^-35,6)/_,@(3^-60,15)*/OH,
   8:/*H^-60,9:*/_^60,10://O,
@@ -1425,55 +1425,52 @@ cFM : molecular formula calculated
 \end{verbatim}
 \paragraph{(Output)}
 \begin{verbatim}
-%------------------------------------------------------------------
-%  Molecular name = Caffeine
-%  Warnings =   0 / Expanded command = 80
-%  Width * Height =   54.31772 *   50.43338
-%  Shift width * height  =  -12.59462 *  -17.49146
-%  Bond length = 12.75589   Atom size   = 5.38914
-%  Atom count= 14 Bond count= 15 Ring count=  2 Hide H count= 10
-%------------------------------------------------------------------
-%< NO.  >(  x axis   ,   y axis   )< atom  >< bond >< hide_H >
-%  A1    (         0 ,          0 )  C           4
-%  A2    (     0.866 ,       -0.5 )  N           3
-%  A3    (     1.732 ,          0 )  C           4
-%  A4    (     1.732 ,          1 )  C           4
-%  A5    (     0.866 ,        1.5 )  C           4
-%  A6    (         0 ,          1 )  N           3
-%  A7    (     2.683 ,     -0.309 )  N           3
-%  A8    (     3.271 ,        0.5 )  C           3       1
-%  A9    (     2.683 ,      1.309 )  N           3
-%  A10   (     0.866 ,     -1.371 )  C           1       3
-%  A11   (    -0.776 ,      1.448 )  C           1       3
-%  A12   (    -0.776 ,     -0.448 )  O           2
-%  A13   (     0.866 ,      2.371 )  O           2
-%  A14   (     2.955 ,      2.147 )  C           1       3
-%------------------------------------------------------------------
-%< NO.  ><  bond   (sdt)><angle + (  +-  )><length (   pt   )>
-%  B1     1 ->   2 (  1)      330 (   -30)       1 (   12.76)
-%  B2     2 ->   3 (  1)       30 (    30)       1 (   12.76)
-%  B3     3 ->   4 (  2)       90 (    90)       1 (   12.76)
-%  B4     4 ->   5 (  1)      150 (   150)       1 (   12.76)
-%  B5     5 ->   6 (  1)      210 (  -150)       1 (   12.76)
-%  B6     6 ->   1 (  1)      270 (   -90)       1 (   12.76)
-%  B7     3 ->   7 (  1)      342 (   -18)       1 (   12.76)
-%  B8     7 ->   8 (  2)       54 (    54)       1 (   12.76)
-%  B9     8 ->   9 (  1)      126 (   126)       1 (   12.76)
-%  B10    9 ->   4 (  1)      198 (  -162)    0.66 (    8.42)
-%  B11    2 ->  10 (  1)      270 (   -90)    0.66 (    8.42)
-%  B12    6 ->  11 (  1)      150 (   150)    0.66 (    8.42)
-%  B13    1 ->  12 (  2)      210 (  -150)    0.66 (    8.42)
-%  B14    5 ->  13 (  2)       90 (    90)    0.66 (    8.42)
-%  B15    9 ->  14 (  1)       72 (    72)    0.66 (    8.42)
-%------------------------------------------------------------------
-% C   (  12.0107) *      8 =     96.08557
-% H   (  1.00793) *     10 =     10.07935
-% N   (  14.0067) *      4 =      56.0268
-% O   (  15.9994) *      2 =     31.99881
-% Monoisotopic mass: 194.08038
-% Weight  Calc: 194.1905 / Input: 194.194 / weight gap= -0.00348
-% Fomula  Calc: C8H10N4O2 / Input: 
-%==================================================================
+------------------------------------------------------------------
+ Molecular name = Nicotine
+ Warnings =   0 / Expanded command = 40
+ Width * Height =   49.57332 *   41.37605
+ Shift width * height  =          0 *   -9.07253
+ Bond length = 12.75589   Atom size   = 5.38914
+ Atom count= 12 Bond count= 13 Ring count=  2 Hide H count= 14
+------------------------------------------------------------------
+< NO. >(  x axis   ,   y axis   )< atom  >< bond >< hide_H >
+ A1    (         0 ,          0 )  C           3       1
+ A2    (     0.866 ,       -0.5 )  N           3
+ A3    (     1.732 ,          0 )  C           3       1
+ A4    (     1.732 ,          1 )  C           4
+ A5    (     0.866 ,        1.5 )  C           3       1
+ A6    (         0 ,          1 )  C           3       1
+ A7    (     2.304 ,       1.33 )  C           3       1
+ A8    (     3.217 ,      0.923 )  N           3
+ A9    (     3.886 ,      1.666 )  C           2       2
+ A10   (     3.386 ,      2.532 )  C           2       2
+ A11   (     2.408 ,      2.325 )  C           2       2
+ A12   (     3.399 ,      0.067 )  C           1       3
+------------------------------------------------------------------
+< NO. ><  bond   (sdt)><angle + (  +-  )><length (   pt   )>
+ B1     1 ->   2 (  2)      330 (   -30)       1 (   12.76)
+ B2     2 ->   3 (  1)       30 (    30)       1 (   12.76)
+ B3     3 ->   4 (  2)       90 (    90)       1 (   12.76)
+ B4     4 ->   5 (  1)      150 (   150)       1 (   12.76)
+ B5     5 ->   6 (  2)      210 (  -150)       1 (   12.76)
+ B6     6 ->   1 (  1)      270 (   -90)       1 (   12.76)
+ B7     4 ->   7 (  1)       30 (    30)    0.66 (    8.42)
+ B8     7 ->   8 (  1)      336 (   -24)       1 (   12.76)
+ B9     8 ->   9 (  1)       48 (    48)       1 (   12.76)
+ B10    9 ->  10 (  1)      120 (   120)       1 (   12.76)
+ B11   10 ->  11 (  1)      192 (  -168)       1 (   12.76)
+ B12   11 ->   7 (  1)      264 (   -96)       1 (   12.76)
+ B13    8 ->  12 (  1)      282 (   -78)    0.66 (    8.42)
+------------------------------------------------------------------
+<atom>( atom wt )[ mi wt   ]  < cnt > < sum wt   >[ sum mi wt  ]
+ C    (  12.0107)[       12] *   10 =    120.10696[         120]
+ H    (  1.00793)[  1.00783] *   14 =     14.11108[    14.10959]
+ N    (  14.0067)[ 14.00307] *    2 =      28.0134[    28.00613]
+ Molecular Weight  [Mono Isotopic]  =     162.2314[   162.11572]
+------------------------------------------------------------------
+ Weight  Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145
+ Fomula  Calc: C10H14N2 / Input: 
+==================================================================
 \end{verbatim}%
 \newpage
 %------------------------------------------------------------------------
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 0e7c39b25e2..29c2f30dbd8 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 0fc11629046..d0ec2e29ec6 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    2017.03.26
+% Example of  MCF typest with LuaLaTeX(luamplib)     by A.Yamaji    2017.05.03
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%% mcf2graph.mf it must be version 4.20 or later
+%%% mcf2graph.mf it must be version 4.21 or later
 \documentclass{article}
 %------------------------------------------------------------------------------
 \usepackage{luamplib}%
@@ -96,9 +96,9 @@
   font_wd:=90mm; font_ht:=45mm;
   beginfont("NO:1","EN:Chlorophyll a","MW:893.49")
     MCf(<54,
-     {,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N,
+     |<,``1,?5,$(2,5)d,4:N,3\,54~dl,|,?5,$(2,4)d,5:N,
      -2\,54~dl,|,?5,2=d,5:N,-2\~dl,54,|,?5,5=d,5:N,-2\~dl,&#5,
-     -1*,24,/*COO!^15,72,//O,&#1,},
+     -1*,24,/*COO!^15,72,//O,&#1,>|,
      4\`1.45,Mg,&17,-1*,&11~vb,-1*,&23~vb,
      @(2,9,15,20~zf)/_,8:/!,14\,!!,
      21*,-6~wf,!2,//O,!,O,!2,!!,|,!13,@(1,5,9,13)/_,
@@ -150,7 +150,7 @@ endfont;
 font_wd:=55mm; font_ht:=55mm;
 beginfont("NO:5","EN:Erythromycin","MW:733.93");
   MCf(<30,
-    {,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,},&1,
+    |<,``1,<-120,60,60,60,-60,60,60,-60,60,60,60,-60,60,60,>|,&1,
      14:O,13:/*Et,@(1,9)//O,@(2,10)*/_,@(4,6^-35,8,12^35)/*_,
      @(6^35,11,12^-35)*/OH,
      #3\*,O,30,|,?6`.7,2:O,@(3,5^35)/_,4:/OH,5^-35:/O!,
@@ -165,10 +165,10 @@ beginfont("NO:5","EN:Erythromycin","MW:733.93");
 font_wd:=90mm; font_ht:=55mm;
 beginfont("NO:6","EN:Vancomycin","MW:1449.25");
   MCf(<30,
-    {,``1,!12,$(1,3,12)zf,7=wf,/H^-60,60,*/OH,60,
+    |<,``1,!12,$(1,3,12)zf,7=wf,/H^-60,60,*/OH,60,
     Ph,-4:/Cl,-3\,O,!,Ph,-4\,O,!,Ph,-1^15:/Cl,-3\,/*OH,*/H^-60,&#1,
     #7*,&#26,#1\^120,//O,60,NH,60,/*H,*/COOH^180,-60,
-    Ph,@(-2,-4)/OH,-1\,Ph,-5:/OH,-2*,&#4,},
+    Ph,@(-2,-4)/OH,-1\,Ph,-5:/OH,-2*,&#4,>|,
     @(3^40,6,9,12)//O,@(2,5,8,11)NH,
     @(1^180,4^180)*/H,@(7^-60,10^60,14^60)/*H,
     #10*\^-60,60,//O,!,NH2,
diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
index 3228dc57951..1dff2e0bc02 100644
--- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
+++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf
@@ -1,5 +1,5 @@
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% mcf2graph ver 4.20     Copyright (c) 2013-2017   Akira Yamaji
+% mcf2graph ver 4.21     Copyright (c) 2013-2017   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,
@@ -28,10 +28,10 @@
 % Set outputformat to MDL Molfile : mpost -s ahangle=3  FILENAME
 % Set make first font only        : mpost -s ahlength=1 FILENAME
 % Set output report               : mpost -s ahlength=2 FILENAME
-% Set to use metapost label,arrow : mpost -s ahlength=3 FILENAME
+% Set to use plain.mp label,arrow : mpost -s ahlength=3 FILENAME
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 tracingstats:=1;
-message " This is mcf2graph ver 4.2  2017.3";
+message " This is mcf2graph ver 4.2  2017.5";
 %-------------------------------------------------------------------------------------------------
 newinternal nA,nB,nC,nD,nE,nF,char_num,str_cnt,def_num,def_int,tbl_cnt;
 numeric save_para[],comD[][],parD[][],cntD[],tbl_str_wd[],tbl_atom[],tbl_subst[][],tbl_atom_wt[],
@@ -186,8 +186,8 @@ def endfont=
 enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 def set_def_MC=
-  save /,*,//,/*,*/,**,~,~~,^,^^,`,'`,{,},<,>,>>,:>,&,&#,:,=,\,\\,*\,\*,@,$,#,|,||,_,
-       d,w,z,inside_def_MC;
+  save /,*,//,/*,*/,**,~,~~,^,^^,`,'`,<,>,>>,:>,&,&#,:,=,\,\\,*\,\*,@,$,#,
+       |,||,|<,>|,|:,:|,_,d,w,z,inside_def_MC;
   inside_def_MC:=1; d:=db; w:=wf; z:=zf;
   vardef $(text a)tertiary b == $$(a)(b) enddef; tertiarydef a=b == $$(a)(b) enddef; 
   vardef @(text a)tertiary b == @@(a)(b) enddef; tertiarydef a:b == @@(a)(b) enddef;
@@ -201,9 +201,9 @@ def set_def_MC=
   tertiarydef a~b == ~~b,a enddef;  tertiarydef a>b == :>b,a enddef;
   def * == (0,1) enddef;  def \ == *,0 enddef;  def \\ == *,0~dm enddef;
   def *\ == *,0~wf enddef;  def \* == *,0~zf enddef;
-  def {  == (_push,1) enddef; def }  == (_pop,1)  enddef;
-  def {{ == (_push,0) enddef; def }} == (_pop,0)  enddef;
-  def | == {,} enddef; def || == (_stack_reset,0) enddef;
+  def |< == (_push,1) enddef; def >| == (_pop,1)  enddef;
+  def | == |<,>| enddef;      def || == (_stack_reset,0) enddef;
+  def |: == (_push,0) enddef; def :| == (_pop,0)  enddef;
   def _ == Me enddef;
   def /secondary n ==   (_postA,n) enddef;  def //secondary n == (_postB,n) enddef;
   def */secondary n ==  (_postC,n) enddef;  def /*secondary n == (_postD,n) enddef;
@@ -876,12 +876,12 @@ def_num:=def_emb_start;
 lr:='(60 for i==1 upto 10:: ,-60,60 endfor); rl:='(-60,lr);
 def ring expr n= <((-180 DIV n)-90),(_chg_len,0),
   for i==2 upto n:: ,(360 DIV n) endfor,(_cyc_sB,1-n) enddef;
-for i=3 upto 20: ?[i]:='({{,ring i,}}); endfor
+for i=3 upto 20: ?[i]:='(|:,ring i,:|); endfor
 Ph:=Ph1:='(?6,(_dl,-2),(_dl,-4),(_dl,-6));
 Ph2:='(?6,(_dl,-1),(_dl,-3),(_dl,-5));
 !:=!1:='((_mk_bond,_arg_ang));
 for i=2  upto 20:
-  ![i]:='({{,(_get_len,0),! for j==2 upto i::,! endfor,}});
+  ![i]:='(|:,(_get_len,0),! for j==2 upto i::,! endfor,:|);
 endfor
 !!:='(!,(_mb,db));
 !!!:='(!,(_mb,tm));
@@ -1203,50 +1203,66 @@ vardef round_auto(expr n)=
 enddef;
 %--------------------------------------------------------------------------------------------------
 def proc_report_out=
-  message "%------------------------------------------------------------------";
-  message "%  Molecular name = "& inf_EN;
-  message "%  Warnings = "&fdr(3)(warning_cnt)&" / Expanded command = "&decimal(cntD[0]);
-  message "%  Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht);
-  message "%  Shift width * height  = "& fdr(10)(minX)&" * "&fdr(10)(minY);
-  message "%  Bond length = "&fdr(3)(bond_len)&"   Atom size   = "&fdr(3)(atom_wd);
-  message "%  Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)&
+  message "------------------------------------------------------------------";
+  message " Molecular name = "& inf_EN;
+  message " Warnings = "&fdr(3)(warning_cnt)&" / Expanded command = "&decimal(cntD[0]);
+  message " Width * Height = " & fdr(10)(mol_wd)&" * "&fdr(10)(mol_ht);
+  message " Shift width * height  = "& fdr(10)(minX)&" * "&fdr(10)(minY);
+  message " Bond length = "&fdr(3)(bond_len)&"   Atom size   = "&fdr(3)(atom_wd);
+  message " Atom count="&fdr(3)(cntA)&" Bond count="&fdr(3)(cntB)&
           " Ring count="&fdr(3)(cntB-cntA+1)&" Hide H count="&fdr(3)(cnt_hide_H);
-  message "%------------------------------------------------------------------";
-  message "%< NO.  >(  x axis   ,   y axis   )< atom  >< bond >< hide_H >";
+  message "------------------------------------------------------------------";
+  message "< NO. >(  x axis   ,   y axis   )< atom  >< bond >< hide_H >";
   for i=1 upto cntA:
-    message "%  A"&fdl(4)(i)&" ("&fdr(10)(round_auto(xpart(posA[i])/bond_len))&" , "&
+    message " A"&fdl(4)(i)&" ("&fdr(10)(round_auto(xpart(posA[i])/bond_len))&" , "&
             fdr(10)(round_auto(ypart(posA[i])/bond_len))&" )  "&fixed_l(8)(strD[numS[i]])&
             "  "&fdr(3)(Bcnt[i]) if hideH[i]>0: &fdr(8)(hideH[i]) fi;
   endfor
-  message "%------------------------------------------------------------------";
-  message "%< NO.  ><  bond   (sdt)><angle + (  +-  )><length (   pt   )>";
+  message "------------------------------------------------------------------";
+  message "< NO. ><  bond   (sdt)><angle + (  +-  )><length (   pt   )>";
   for i=1 upto cntB:
     nC:=lenB[i]; if nC=_size_a: nC:=ratio_atom_bond; elseif nC<0: nC:=-nC; fi
     if lineB[i]<>0:
       nB:=angB[i]; if nB>180: nB:=nB-360; fi
-      message "%  B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])&
+      message " B"&fdl(4)(i)&fdr(3)(sB[i])&" -> "&fdr(3)(eB[i])&
               " ("&fdr(3)(bondC[i]-si+1)&")"&fdr(9)(round_auto(angB[i]))&
               " ("&fdr(6)(round_auto(nB))&")"&fdr(8)(nC)&" ("&fdr(8)(round_auto(nC*bond_len))&")";
     fi
   endfor
-  message "%------------------------------------------------------------------";
-  if MWp<=40: cal_MW_str:=cal_MW;                cal_MI_str:=cal_MI; 
-  else:       cal_MW_str:=fdr(10)(MWp)&" * 100"; cal_MI_str:=fdr(10)(MIp)&" * 100";
+  message "------------------------------------------------------------------";
+  message "<atom>( atom wt )[ mi wt   ]  < cnt > < sum wt   >[ sum mi wt  ]";
+  if MWp<=40:
+    cal_MW_str:=cal_MW;
+    cal_MI_str:=cal_MI; 
+  else:
+    cal_MW_str:=fdr(10)(MWp)&" * 100";
+    cal_MI_str:=fdr(10)(MIp)&" * 100";
   fi
   for i=1 upto tbl_cnt:
     if sumA[i]>=1:
        nA:=tbl_atom_wt[i]/100*sumA[i];
-       message "% "&fixed_l(4)(stripP(tbl_atom_str[i]))&"("&fdr(9)(tbl_atom_wt[i])&
-               ") * "&fdr(6)(sumA[i])&" = "
-       if nA<40: &fdr(12)(tbl_atom_wt[i]*sumA[i]); else: &fdr(12)(nA)&" * 100"; fi
+       nB:=tbl_atom_mi[i]/100*sumA[i];
+       message " "&
+         fixed_l(5)(stripP(tbl_atom_str[i]))&
+         "("&fdr(9)(tbl_atom_wt[i])&")"&
+         "["&fdr(9)(tbl_atom_mi[i])&"]"&
+         " * "&fdr(4)(sumA[i])&" = "
+       if nA<40:
+         &fdr(12)(tbl_atom_wt[i]*sumA[i])
+         &"["&fdr(12)(tbl_atom_mi[i]*sumA[i])&"]";
+       else:
+         &fdr(12)(nA)&" * 100"&"["&fdr(12)(nA)&" * 100"&"]";
+       fi
      fi
   endfor
-  message "% Monoisotopic mass: "&cal_MI_str;
-  message "% Weight  Calc: " &cal_MW_str &" / Input: "
+  message " Molecular Weight  [Mono Isotopic]  = "&
+    fixed_r(12)(cal_MW_str)&"["&fixed_r(12)(cal_MI_str)&"]";
+  message "------------------------------------------------------------------";
+  message " Weight  Calc: " &cal_MW_str &" / Input: "
     if inf_MW<>"": &inf_MW &" / weight gap= " &decimal(MW_num-scantokens(inf_MW)) fi;
-  message "% Fomula  Calc: "&cal_FM&" / Input: "
+  message " Fomula  Calc: "&cal_FM&" / Input: "
     if inf_FM<>"": &inf_FM&" / "&  if inf_FM=cal_FM: "MACTCH" else: "NOT MACTCH" fi fi;
-  message "%==================================================================";
+  message "==================================================================";
 enddef;
 %==================================================================================================
 def proc_MOLfile_out=
@@ -1267,4 +1283,3 @@ enddef;
 %-------------------------------------------------------------------------------------------------
 vardef fit_zero(expr n)=if n<=9: "00" elseif n<=99: "0" fi enddef;
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-%%