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-rw-r--r--Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex288
1 files changed, 128 insertions, 160 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
index 357a853c5a9..e41355ff48b 100644
--- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
+++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex
@@ -1,16 +1,24 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2021.03.07
+% Molecular Coding Format manual by Akira Yamaji 2021.03.21
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
\usepackage[pdftex]{graphicx}
\usepackage[pdftex]{hyperref}
\usepackage{makeidx}
\makeindex
-%---------------------
+\hypersetup{colorlinks=true,linkcolor=blue}
+\makeatletter
\usepackage{mcf_setup}
+%----------------------------------------------------------------------------
%%%%\pdfpkresolution=1200
-%---------------------
-\hypersetup{colorlinks=true,linkcolor=blue}
+%----------------------------------------------------------------------------
+%%%%\edef\fext{pk}% **** for proof print (fast)
+\edef\fext{mps}% **** for final print (it takes long time)
+%----------------------------------------------------------------------------
+%%%%\edef\fext{png}%
+%%%%\edef\fext{svg}%
+%%%%\edef\fext{eps}%
+%----------------------------------------------------------------------------
\topmargin=-18mm
\textheight=254mm
\textwidth=168mm
@@ -18,7 +26,6 @@
%%%%\oddsidemargin=7mm
%%%%\evensidemargin=-7mm
\unitlength=1mm%
-\makeatletter
%----------------------------------------------------------------------------
\newcount \fnum%
\newdimen \htman%
@@ -33,21 +40,15 @@
%----------------------------------------------------------------------------
\edef\MCFjobname{mcf_man_soc}%
%----------------------------------------------------------------------------
-\edef\fext{pk}%
-%%\edef\fext{mps}%
-%%\edef\fext{png}%
-%%\edef\fext{svg}%
-%%\edef\fext{eps}%
-%----------------------------------------------------------------------------
\font\@strufont=\MCFjobname\relax%
%----------------------------------------------------------------------------
\def\MCFgraph{%
\ifx\fext\@pk{\@strufont\char\fnum}%
\else%
\edef\file@name{\MCFjobname-\z@num\fnum.\fext}%
-%%%%%%%\includegraphics{\file@name}%
\setbox\fbox=\hbox{\@strufont\char\fnum}%
\includegraphics[width=\wd\fbox,height=\ht\fbox]{\file@name}%
+%%%%%%%\includegraphics{\file@name}%
\fi%
\global\advance\fnum\@ne\relax%
}%
@@ -87,6 +88,7 @@
\linethickness{0.08mm}%
%----------------------------------------------------------------------------
\newpage
+\twocolumn
\section{Introduction}
Molecular Coding Format(MCF) is new linear notation
represent chemical structure diagrams.
@@ -194,7 +196,7 @@ $n (0<=n<360): absolute angle
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Change bond type}
-\subsubsection{Double,triple}
+\subsubsection{Double,triple,wedge,vector}
\index{\textasciitilde}%
\index{\textasciitilde\textasciitilde}%
\index{"!"!}%
@@ -205,6 +207,8 @@ $n (0<=n<360): absolute angle
\index{db}%
\index{tm}%
\begin{verbatim}
+
+(Double,triple)
a~type : ~~type,a
dm : double middle
dl : double left side
@@ -218,59 +222,57 @@ tm : triple
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- dm dl dr db db tm
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Wedge}
+%%\subsubsection{Wedge}
\index{wf}%
\index{wb}%
\index{zf}%
\index{zb}%
\begin{verbatim}
-wf : wedge forward / wb : wedge backward
-zf : hashed wedge foward
-zb : hashed wedge backward
+
+(Wedge)
+wf: wedge forward
+wb: wedge backward
+zf: hashed(zebra stripe) wedge foward
+zb: hashed(zebra stripe) wedge backward
<-30,!~wf,!,!~wb,!,!~zf,!,!~zb
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- wf wb zf zb
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Vector}
+%%\subsubsection{Vector}
\index{vf}%
\index{vb}%
\begin{verbatim}
-vf:vector forward / vb:vector backward
+
+(Vector)
+vf:vector forward
+vb:vector backward
<-30,!~vf,!,!~vb
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- vf vb
-\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Dotted,wave}
+%%\subsubsection{Dotted,wave}
\index{dt}%
\index{wv}%
\index{bd}%
\index{bz}%
\begin{verbatim}
+
+(Dotted,wave)
Bn=bond type : change bond type at Bn
-dt : dotted / wv : wave
-bd : broad / bz : broad dotted
+dt : dotted
+wv : wave
+bd : broad
+bz : broad dotted
<-30,!7,1=dt,3=wv,5=bd,7=bz
\end{verbatim}
\MCFgraph
\vspace{-3mm}%
-\begin{verbatim}
- dt wv bd bz
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Change multiple bond type}
\index{vf}%
@@ -448,7 +450,7 @@ attached bond length
\begin{verbatim}
\end{verbatim}
%-----------------------------------------------------------------------------
-\subsubsection{Attached 2 bond}
+\subsubsection{Attached 3 bond}
\begin{verbatim}
(16,4)=?6[3] : fuse 3/6 ring to B16..B4
(16,4)=?5[2] : fuse 2/5 ring to B16..B4
@@ -477,8 +479,6 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
@4,?5 : add ?5 at A4
<30,!6,@4,?5
-
-@An : jump to An
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -510,13 +510,9 @@ MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
*/* : wave
** : direct
-<30,!,//O,!2,/*H,!2,*/H,!2,*/*H,!2,**?3,!
+<30,!,//O,!2,*/H,!2,/*H,!2,*/*H,!2,**?3,!
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- // /* */ */* **
-\end{verbatim}
%-----------------------------------------------------------------------------
\index{\textasciicircum}% ^
\index{\textasciitilde}% ~
@@ -664,8 +660,38 @@ MC(<30,?6,{4,6}:/iBuOH)
<30,?6,@3,!4,//O,!,O,n_^60,@(6,1),H,p_^15
\end{verbatim}
\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Change color}
+\index{red}%
+\index{blue}%
+\index{green}%
+\begin{verbatim}
+(use with metapost only)
+beginfont()
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH,
+ %---------------------
+ 2:red, % red A2
+ 5:blue, % blue A5
+ 3=green % green B3
+ %---------------------
+ )
+endfont
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Change font}
+\index{atomfont}%
+\begin{verbatim}
+(use with metapost only)
+beginfont()
+ %----------------
+ atomfont:="cmr8";
+ %----------------
+ MC(<30,Ph,{2,5}:N,3:/NH2,4:/COOH)
+endfont
+\end{verbatim}
+\MCFgraph
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-\newpage
\section{Option parameter}
%------------------------------------------------------------------------------
\subsection{Angle parameter}
@@ -766,10 +792,6 @@ fmargin=(10mm,2mm)
default: offset_thickness=0.2pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0pt 0.2pt 0.5pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of double bond gap}
\index{offset\_bond\_gap}%
@@ -777,10 +799,6 @@ default: offset_thickness=0.2pt
default: offset_bond_gap=0.3pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.3pt 1.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of atom width}
\index{offset\_atom}%
@@ -788,10 +806,6 @@ default: offset_bond_gap=0.3pt
default: offset_atom=0.8pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.8pt 2.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Offset of wedge width}
\index{offset\_wedge}%
@@ -799,10 +813,6 @@ default: offset_atom=0.8pt
default: offset_wedge=0.4pt
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0pt 0.4pt 1.0pt
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Max bond length}
\index{max\_blength}%
@@ -810,10 +820,6 @@ default: offset_wedge=0.4pt
default: max_blength=10mm
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 6mm 8mm 20mm
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsection{Ratio parameter}
%-----------------------------------------------------------------------------
@@ -823,10 +829,6 @@ default: max_blength=10mm
default: ratio_thickness_bond=0.015
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.005 0.015 0.030
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Char/bond thickness}
\index{ratio\_char\_bond}%
@@ -834,10 +836,6 @@ default: ratio_thickness_bond=0.015
default: ratio_char_bond=1.5
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 1.0 1.5 2.0
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Bond gap/bond length}
\index{ratio\_bondgap\_bond}%
@@ -845,10 +843,6 @@ default: ratio_char_bond=1.5
default: ratio_bondgap_bond= 0.15
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.10 0.15 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Atom/bond length}
\index{ratio\_atom\_bond}%
@@ -856,10 +850,6 @@ default: ratio_bondgap_bond= 0.15
default: ratio_atom_bond= 0.36
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.25 0.36 0.46
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Wedge/bond length}
\index{ratio\_wedge\_bond}%
@@ -867,10 +857,6 @@ default: ratio_atom_bond= 0.36
default: ratio_wedge_bond=0.12
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.10 0.12 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Font atom gap/atom length}
\index{ratio\_atomgap\_atom}%
@@ -878,10 +864,6 @@ default: ratio_wedge_bond=0.12
default: ratio_atomgap_atom= 0.050
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.0 0.050 0.12
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Chain/ring length}
\index{ratio\_chain\_ring}%
@@ -889,10 +871,6 @@ default: ratio_atomgap_atom= 0.050
default: ratio_chain_ring= 0.66
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.4 0.65 1.0
-\end{verbatim}
%-----------------------------------------------------------------------------
\subsubsection{Hash gap/bond length}
\index{ratio\_hashgap\_bond}%
@@ -900,12 +878,8 @@ default: ratio_chain_ring= 0.66
default: ratio_hashgap_bond=0.12
\end{verbatim}
\MCFgraph
-\vspace{-3mm}%
-\begin{verbatim}
- 0.06 0.12 0.20
-\end{verbatim}
%-----------------------------------------------------------------------------
-\newpage
+%%%%\newpage
%-----------------------------------------------------------------------------
\subsection{Drawing mode}
%-----------------------------------------------------------------------------
@@ -1021,8 +995,6 @@ MC(<30,COOH,!,COOH)
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\newpage
-%-----------------------------------------------------------------------------
\subsection{Parameter setting}
\subsubsection{Local parameter setting}
\index{beginfont()}%
@@ -1090,14 +1062,15 @@ MCat(c,d)(....) :
mposition:=(c,d); MC(....)
-c: x axis position d: y axis position
+c: x axis position
+d: y axis position
defaultsize:=5bp;
-fsize:=(40mm,40mm); fmargin:=(3mm,3mm);
-blength:=0.1; sw_fframe:=1;
+fsize:=(60mm,40mm); fmargin:=(3mm,3mm);
+blength:=0.07; sw_fframe:=1;
mangle:=0;
for i=1 step -0.5 until 0:
- for j=0 step 0.5 until 1:
+ for j=0 step 0.33 until 1:
MCat(j,i)(Ph,4:N)
add(drawarrow((A1+A1up**aw)..A1);
label(decimal(mangle),
@@ -1110,30 +1083,28 @@ endfor
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Function check\_mc()}
-\index{check\_mc()}%
+\subsection{Function check()}
+\index{check()}%
\begin{verbatim}
(immediately compile)
beginfont("EN:Pyridine")
- MC(Ph,<30,2:N)
+ MC(<30,Ph,2:N)
endfont
(check mcf and compile)
-beginfont("EN:Pyridine",":<30,Ph,2:N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
-endfont
+** check(mc) : error count
-** error in mcf check_mc(mc)>=1
-beginfont("EN:Pyridine",":<30,Ph,2):N")
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+beginfont("EN:Pyridine",
+ ":<30,Ph,}2:N") % ** extra '}'
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph\hspace{22mm}\MCFgraph
\begin{verbatim}
-check_mc(mc)=0 check_mc(mc)>=1
+check(mc)=0 check(mc)>=1
\end{verbatim}
%===============================================================================
\newpage
@@ -1175,7 +1146,7 @@ check_mc(mc)=0 check_mc(mc)>=1
\index{defaultscale}%
\index{labeloffset}%
\begin{verbatim}
-(Add graphic to molecule)
+(Add label to molecule)
w: molecular width
h: molecular height
@@ -1291,7 +1262,7 @@ endfont
\index{ratio\_thickness\_char}%
\index{defaultscale}%
\begin{verbatim}
-(Extra graphic to font)
+(Extra label to font)
w: font width
h: font height
@@ -1401,7 +1372,7 @@ endfont
\section{MCF example}
%-----------------------------------------------------------------------------
\subsection{Luciferin}
-\index{check\_mc()}%
+\index{check()}%
\begin{verbatim}
beginfont("EN:Luciferin","MW:280.33",
%-------------------------------------
@@ -1409,7 +1380,7 @@ beginfont("EN:Luciferin","MW:280.33",
": {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH ")
%-------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1423,7 +1394,7 @@ beginfont("EN:Colchicine","MW:385.41",
": @9,\,NH,!,//O,! ")
%-------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1433,7 +1404,7 @@ endfont
beginfont("EN:Paclitaxel","MW:853.91",
%------------------------------------
": ?6,5=dl,@3,#1,36,45,45,45,45,##, ",
- ": &.$5", ",
+ ": &5", ",
": -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, ",
": 4:??,6:/_,{3^-60,15}:*/OH, ",
": 8:/*H^-60,", ",
@@ -1445,7 +1416,7 @@ beginfont("EN:Paclitaxel","MW:853.91",
": @12,\*^-15,O,60,//O,-60 ")
%------------------------------------
fsize:=(50mm,25mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1460,7 +1431,7 @@ beginfont("EN:Lycorine","MW:287.31",
": 13:*/OH,14:/*OH ")
%--------------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1476,7 +1447,7 @@ beginfont("EN:Gibberellin A3","MW:346.37",
": 14:*/_,{1,4}:*/H^60 ")
%----------------------------------------
fsize:=(50mm,18mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1491,7 +1462,7 @@ beginfont("EN:Quinine","MW:324.42",
": @2,165~zf,60,&5~zb ")
%-------------------------------
fsize:=(50mm,20mm);
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{verbatim}
\MCFgraph
@@ -1524,7 +1495,7 @@ beginfont("EN:Ampicillin","MW:349.405", > information
": 3^45:/*H,1://O^15,5:/*COOH^-18,6:??, ", > mc2
": @4,*\^15,NH,!,//O,!,/*NH2,!,Ph ") > mc3
%---------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1&mc2&mc3
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Cholesterol","MW:386.65", >information
@@ -1534,7 +1505,7 @@ beginfont("EN:Cholesterol","MW:386.65", >information
": {4,12}:*/_^60, ", > mc3
": @-1,18,/*_,-60,!3,?! ") > mc4
%---------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:Limonin", > information
@@ -1546,7 +1517,7 @@ beginfont("EN:Limonin", > information
": {1^60,5^180,16^60}:/*H, ", > mc5
": @14,\*,|,?5,{1,4}=dl,3:O) ") > mc6
%----------------------------------------- >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc6
endfont > end font
%------------------------------------------------------------------------
beginfont("EN:beta-carotene", > information
@@ -1556,7 +1527,7 @@ beginfont("EN:beta-carotene", > information
": {3,7,12,16}:/_, ", > mc3
": |,?6,6=dl,2:??,6:/_) ") > mc4
%------------------------------------------ >
- if check_mc(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
+ if check(mc)=0: MC(scantokens(mc)) fi > mc=mc1 - mc4
endfont > end font
%------------------------------------------------------------------------
bye
@@ -1657,53 +1628,50 @@ h : font height
\paragraph{(Output)}
\begin{verbatim}
===========================================================================
- No. 1 / Name = Adenine
+ No. 3 / Name = Cytosine
---------------------------------------------------------------------------
- <30,?6,3=?5,{1,3,5,9}=dl,{2,6,9}:N,5:/NH2,7:NH
+ <30,?6,{4,6}=dl,4:N,3://O,2:NH,5:/NH2
---------------------------------------------------------------------------
- mc length= 46 / mc low= 1
+ row= 1 / length= 37 / commands= 7
+ {}=X = 1 / {}:X = 0 / '() = 0 / @ = 0 / & = 0 / < = 1
---------------------------------------------------------------------------
- Warnings = 0 / Command count= 65
- Width * Height = 44.41766 * 44.96748
- Shift width * height = -2.69456 * -12.02556
+ Warnings = 0 / Code= 60
+ Width * Height = 34.68852 * 47.4036
+ Shift width * height = 0 * -14.46167
Bond length = 12.75589 Atom size = 5.38914
- Atom count= 11 Bond count= 12 Ring count= 2 Hide H count= 2
+ Atom count= 9 Bond count= 9 Ring count= 1 Hide H count= 2
---------------------------------------------------------------------------
< NO. ><atom(s) >( x axis , y axis )<bond><hideH><chg>
A1 C ( 0 , 0 ) 3 1
A2 N ( 0.866 , -0.5 ) 3
A3 C ( 1.732 , 0 ) 4
- A4 C ( 1.732 , 1 ) 4
+ A4 N ( 1.732 , 1 ) 3
A5 C ( 0.866 , 1.5 ) 4
- A6 N ( 0 , 1 ) 3
- A7 N ( 2.683 , -0.309 ) 3
- A8 C ( 3.271 , 0.5 ) 3 1
- A9 N ( 2.683 , 1.309 ) 3
- A10 NH2 ( 0.866 , 2.371 ) 1
- A11 H ( 2.683 , -0.732 ) 1
+ A6 C ( 0 , 1 ) 3 1
+ A7 O ( 2.508 , -0.448 ) 2
+ A8 H ( 0.866 , -0.922 ) 1
+ A9 NH2 ( 0.866 , 2.371 ) 1
---------------------------------------------------------------------------
< NO. >< bond (sdt)><angle +( +- )><length ( pt )>
- B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76)
+ 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 ( 2) 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 ( 1) 54 ( 54) 1 ( 12.76)
- B9 8 -> 9 ( 2) 126 ( 126) 1 ( 12.76)
- B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42)
- B11 5 -> 10 ( 1) 90 ( 90) 0.66 ( 8.42)
- B12 7 -> 11 ( 1) 270 ( -90) 0.36 ( 4.59)
+ B3 3 -> 4 ( 1) 90 ( 90) 1 ( 12.76)
+ B4 4 -> 5 ( 2) 150 ( 150) 1 ( 12.76)
+ B5 5 -> 6 ( 1) 210 ( -150) 1 ( 12.76)
+ B6 6 -> 1 ( 2) 270 ( -90) 1 ( 12.76)
+ B7 3 -> 7 ( 2) 330 ( -30) 0.66 ( 8.42)
+ B8 2 -> 8 ( 1) 270 ( -90) 0.36 ( 4.59)
+ B9 5 -> 9 ( 1) 90 ( 90) 0.66 ( 8.42)
---------------------------------------------------------------------------
<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ]
- C ( 12.0107)[ 12] * 5 60.05348[ 60]
+ C ( 12.0107)[ 12] * 4 48.04279[ 48]
H ( 1.00793)[ 1.00783] * 5 5.03967[ 5.03914]
- N ( 14.0067)[ 14.00307] * 5 70.0335[ 70.01534]
- Molecular Weight [Mono Isotopic] = 135.1266[ 135.05447]
+ N ( 14.0067)[ 14.00307] * 3 42.0201[ 42.0092]
+ O ( 15.9994)[ 15.99492] * 1 15.9994[ 15.99492]
+ Molecular Weight [Mono Isotopic] = 111.1019[ 111.04326]
---------------------------------------------------------------------------
- Weight Calc: 135.1266 / Input: 135.13 / weight gap= -0.00336
- Fomula Calc: C5H5N5 / Input:
+ Weight Calc: 111.1019 / Input: 111.10 / weight gap= 0.00195
+ Fomula Calc: C4H5N3O / Input:
===========================================================================
\end{verbatim}%
\newpage
@@ -1791,7 +1759,7 @@ M END
": {1^60,5^180,16^60}:/*H, ",
": @14,\*,|,?5,{1,4}=dl,3:O ")
%----------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{mplibcode}\\
%--------------------------------------------------------------------
@@ -1804,7 +1772,7 @@ M END
": {3,7,12,16}:/_, ",
": |,?6,6=dl,{6,2^35,2^-35}:/_ ")
%------------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont
\end{mplibcode}\\
%--------------------------------------------------------------------
@@ -1818,7 +1786,7 @@ M END
": 2:/COOH,7://_,13:*/OH,8:/*OH, ",
": 14:*/_,{1^60,4^60}:*/H ")
%------------------------------------
- if check_mc(mc)=0: MC(scantokens(mc)) fi
+ if check(mc)=0: MC(scantokens(mc)) fi
endfont;
%--------------------------------------------------------------------
\end{mplibcode}\\
@@ -1834,11 +1802,11 @@ endfont;
%--------------------------------------------------------------------
\documentclass[a4paper]{article}
\usepackage{graphicx}
+\makeatletter%
%---------------------
\usepackage{mcf_setup}
%---------------------
\pagestyle{empty}
-\makeatletter%
%--------------------------------------------------------------------
\def\put@char{%
\begin{picture}(84,42)%