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-rw-r--r--graphics/mcf2graph/mcf_manual.tex363
1 files changed, 195 insertions, 168 deletions
diff --git a/graphics/mcf2graph/mcf_manual.tex b/graphics/mcf2graph/mcf_manual.tex
index aaf2017799..4c15bbafc1 100644
--- a/graphics/mcf2graph/mcf_manual.tex
+++ b/graphics/mcf2graph/mcf_manual.tex
@@ -1,5 +1,5 @@
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
-% Molecular Coding Format manual by Akira Yamaji 2020.07.07
+% Molecular Coding Format manual by Akira Yamaji 2020.07.26
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[a4paper]{article}
%%%%\documentclass[a4paper,twoside]{article}
@@ -30,7 +30,7 @@
\htman=45mm%
\wdman=94mm%
\htmans=42mm%
-\fontnum=21%
+\fontnum=29%
\tempnum=1%
%----------------------------------------------------------------------------
\edef\MCFjobname{mcf_man_soc}%
@@ -104,16 +104,16 @@
\begin{center} Suggestion or request mail to: mcf2graph@gmail.com \end{center}
%-----------------------------------------------------------------------------
\thispagestyle{empty}
-\vspace{3mm}%
-\begin{center}
+\vspace{5mm}%
{\@strufont%
-\char1 \raisebox{10mm}{\char2 }\char3 \raisebox{10mm}{\char4}\\
-\char5 \raisebox{10mm}{\char6 }\char7 \raisebox{10mm}{\char8}\\
-\char9 \raisebox{10mm}{\char10}\char11\raisebox{10mm}{\char12}\\
-\char13\raisebox{10mm}{\char14}\char15\raisebox{10mm}{\char16}\\
-\char17\raisebox{10mm}{\char18}\char19\raisebox{10mm}{\char20}\\
+\char1 \char2 \char3 \char4\\
+\char5 \char6 \char7 \char8\\
+\char9 \char10\char11\char12\\
+\char13\char14\char15\char16\\
+\char17\char18\char19\char20\\
+\char21\char22\char23\char24\\
+\char25\char26\char27\char28
}%
-\end{center}
%-----------------------------------------------------------------------------
\twocolumn
\thispagestyle{empty}
@@ -125,11 +125,11 @@
\section{Introduction}
Molecular Coding Format(MCF) is new linear notation
represent chemical structure diagrams.
-This 'Coding' is named from coding(programing) technique
-like adressing,grouping,macro,etc.
-There are no Meta language commands in MCF.
-mcf2graph convert MCF file to graphics file
-pk font,PNG,SVG,EPS or MDL MOL file.
+This Coding is named from programing technique
+such as operator, array, scope, macro, adressing, etc.
+mcf2graph convert from MCF to pk font, PNG, SVG, EPS, MOL file.
+It is also able to calculate molecular weight,
+exact mass, molecular formula.
%-----------------------------------------------------------------------------
\section{MCF syntax}
\subsection{Make bond}
@@ -142,6 +142,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\subsubsection{Chain use !,!n}
\begin{verbatim}
! : take value 60 or -60 depend on
current angle and enviroment
@@ -152,7 +153,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Jump and branch bond}
+\subsubsection{Jump to atom}
\begin{verbatim}
n:@ : Jump to An
** An: atom number(-999<=n<=4095)
@@ -161,6 +162,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%------------------------------------
+\subsubsection{Branch bond}
\begin{verbatim}
3:\ : 3:@,0
@@ -168,7 +170,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Branch bond}
+\subsubsection{Branch modified bond}
\begin{verbatim}
2:\ : 2:@,0
4:*\ : 4:@,0~wf
@@ -346,6 +348,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\subsubsection{Reset brock address}
\begin{verbatim}
|| : reset brock adress
@@ -381,9 +384,8 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Fuse ring}
+\subsubsection{Attached 1 bond}
\begin{verbatim}
- (Attached 1 bond)
-
?6,3=?6 : fuse ?6 at B3
** Bn(n:-999<=n<=4095): bond number
@@ -414,9 +416,8 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\subsubsection{Attached 2 bond}
\begin{verbatim}
- (Attached 2 bond)
-
(4,11)=?6[4] : fuse 4/6 ring to B11..B4
(4,11)=?5[3] : fuse 3/5 ring to B11..B4
(4,11)=?4[2] : fuse 2/4 ring to B11..B4
@@ -432,9 +433,8 @@ pk font,PNG,SVG,EPS or MDL MOL file.
1 2 3
\end{verbatim}
%-----------------------------------------------------------------------------
+\subsubsection{Attached 2 bond}
\begin{verbatim}
- (Attached 3 bond)
-
(16,4)=?6[3] : fuse 3/6 ring to B16..B4
(16,4)=?5[2] : fuse 2/5 ring to B16..B4
** ?m[n] (5<=m<=6,n=m-3)
@@ -448,10 +448,8 @@ pk font,PNG,SVG,EPS or MDL MOL file.
1 2
\end{verbatim}
%-----------------------------------------------------------------------------
-%%%%\subsubsection{Attached 4 bond}
+\subsubsection{Attached 4 bond}
\begin{verbatim}
- (Attached 4 bond)
-
(21,4)=?6[2] : fuse 2/6 ring to B21..B4
MC(<-30,?6,{3,10,15}=?6,(21,4)=?6[2])
@@ -460,7 +458,7 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Spiro ring}
+\subsubsection{Spiro ring}
\begin{verbatim}
4:@,?5 : add ?5 at A4
@@ -541,8 +539,9 @@ pk font,PNG,SVG,EPS or MDL MOL file.
>hz : horizontal enviroment (default)
>vt : vertical enviroment
- ?4,{3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz,
- {1^-60,1`2,1^60}:/'(!2,"{vt}")>vt
+ ?4,
+ {3^-90,3^-30,3^90}:/'(!3,"{hz}")>hz,
+ {1^-60,1,1^60}:/'(!3,"{vt}")>vt
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -557,13 +556,20 @@ pk font,PNG,SVG,EPS or MDL MOL file.
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Fixed angle,multi angle}
+\subsubsection{Fixed rotate angle}
+\begin{verbatim}
+ >45 : rotate 45
+
+ <30,!6,6>45:/!3
+\end{verbatim}
+\MCFgraph
+%-----------------------------------------------------------------------------
+\subsubsection{Multi rotate angle}
\begin{verbatim}
- >45 : fixed angle enviroment
- >'(-90,90,-90) : multi angle enviroment
+ >'(90,-90,...) :rotate 90,-90,...
- <30,!6,2>45:/'(!3,"{45}"),
- {6>'(-90,90,-90)}:/'(!3,"{(-90,90,-90)}")
+ <30,!6,
+ 6>'(90,-90,90,-90,90):/!5
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -576,48 +582,39 @@ pk font,PNG,SVG,EPS or MDL MOL file.
simultaneously
<-30,!2,NH,!,SO,!,SOO,!
+ <-30,!4,3:NH,5:SO,7:SOO
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{Change color, atom font}
-\begin{verbatim}
- 1=green : change color of B1 green
- 3:red : change color of A3 red
- atomfont:="cmr8" : use cmr8 for atom font
-
- defaultfont:="cmtt8";
- defaultsize:=8bp;
- MCat(0.25,0)(<30,Ph,{2,5}:N,3:/NH2,
- 2:red,5:blue,3=green)
- add(label.lft("(draw)",p0+(0,0.9h));)
- atomfont:="cmr8"; % default:"draw"
- MCat(1,0)(<30,Ph,{2,5}:N,3:/NH2)
- add(label.lft("(cmr8)",p0+(0,0.9h));)
-\end{verbatim}
-{\MCFformat=0 \MCFgraph}
-%-----------------------------------------------------------------------------
\subsubsection{Make block}
\begin{verbatim}
- |< : start brock
- >| : end brock
- |=n, bond length=n ,=|
+ |< : start brock
+ >| : end brock
+
+ |= : start brock / bond length=n
+ =| : end brock
- <-30,!2,|<,``1.2,!2,>|,!2
- <-30,!2,|=1.2,!2,=|,!2
+ <-30,!2,|<,``1.2,!4,>|,!2
+ <-30,!2,|=1.2,!4,=|,!2
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsubsection{User definition}
+\subsubsection{Parts definition}
\begin{verbatim}
- user defined parts
- iBuOH:='(!,/_,!,OH)
- <30,?6,{4,6}:/iBuOH
+ '(..) : user defined parts
+
+ iBuOH:='(!,/_,!,OH);
+ MC(<30,?6,{4,6}:/iBuOH)
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
+\subsubsection{Parts inline definition}
\begin{verbatim}
- Insert user defined parts
- <30,!3,/'(!,/_,!,OH),!3
+ <30,!, /'(!,/_,!,OH),
+ !4,/'(!,/_,!,OH),!3
+
+ <30,!8,
+ {2,6}:/'(!,/_,!,OH)
\end{verbatim}
\MCFgraph
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
@@ -951,7 +948,8 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
\MCFgraph
\newpage
%-----------------------------------------------------------------------------
-\subsection{Local parameter setting}
+\subsection{Parameter setting}
+\subsubsection{Local parameter setting}
\begin{verbatim}
beginfont()
MC(Ph)
@@ -968,7 +966,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
\end{verbatim}
\MCFgraph\MCFgraph\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Global parameter setting}
+\subsubsection{Global parameter setting}
\begin{verbatim}
beginfont()
MC(Ph)
@@ -1026,7 +1024,9 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
mangle:=0;
for i=1 step -0.25 until 0:
for j=0 step 0.25 until 1:
+ %----------------
MCat(j,i)(Ph,4:N)
+ %----------------
add(
drawarrow((A1+A1up**aw)..A1);
label(decimal(mangle),
@@ -1051,6 +1051,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
em: label font size
p0: origin of molecular structure
l: bond length
+
An: atom number
A[m]: atom position
A[m]ang: branch angle of A[m]
@@ -1058,6 +1059,7 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
A[m]left: dir A[m]ang+90
A[m]right: dir A[m]ang-90
A[m]down: dir A[m]ang+180
+
Bn: bond number
B[m]: bond(path)
B[m]s: bond start position
@@ -1068,45 +1070,84 @@ MCat(1, .5)(<30,Ph,4:/COOH,3:/NH2)
B[m]left: dir B[m]ang+90
B[m]right: dir B[m]ang-90
B[m]down: dir B[m]ang+180
+
plus : '+' circled
minus : '-' circled
circlediam = 0.6aw (default)
circlepen = 0.2bp (default)
+
lonepair r: ':' rotated r
lonepairdiam = 0.3aw (default)
lonepairspace = 0.7aw (default)
+
** : scaled
<< : rotated
a /* b : point b of a
-%----------------------------------------
-beginfont()
+
+beginfont("EN:add() 1")
+ fsize:=(75mm,45mm);
+ sw_aframe:=sw_mframe:=1;
+ max_blength:=12mm;
+ msize:=(.91,.85);
+ MCat(.5,.8)(<30,?6,{2,5}:O)
+ %-------------------------------------
+ add(
+ defaultscale:=.8;
+ labeloffset:=.3aw;
+ dotlabel.lft("p0",p0);
+ dotlabel.rt( "p0+(w,h)",p0+(w,h));
+ dotlabel.ulft("A1",A1);
+ drawarrow A1..A1+(l,0)<<A1ang;
+ dotlabel.lrt( "B3s",B3s);
+ dotlabel.rt("B3m",B3m);
+ drawarrow B3m..B3m+(l,0)<<(B3ang+90);
+ dotlabel.ulft("A6",A6);
+ drawarrow A1{A1down}..A6;
+ dotlabel.urt( "B3e",B3e);
+ label.rt("An="&decimal(An)&" / "&
+ "Bn="&decimal(Bn),p0+(-w,-1.5em));
+ label.rt("aw="&decimal(aw),p0+(w,-1.5em));
+ label.rt("em="&decimal(em),p0+(0,-1.5em));
+ label.rt("w="&decimal(w),p0+(-w,-3em));
+ label.rt("h="&decimal(h),p0+(0,-3em));
+ label.rt("l="&decimal(l),p0+(w,-3em));
+ )
+endfont
+\end{verbatim}
+\MCFgraph
+\begin{verbatim}
+beginfont("EN:add() 2")
fsize:=(60mm,20mm);
msize:=(1,0.85);
%---------------------------------------
MCat(0,0)(<30,Ph,3=dl,4:/NH2)
+ %---------------------------------------
add(
labeloffset:=.7aw;
label.top(lone_pair 90,A7);
- drawarrow (A7+up**1.2aw){A7left}
+ drawarrow
+ (A7+up**1.2aw){A7left}
..{B7right}B7/*0.3;
- drawarrow B3m..A3+B2up**1.5aw
- ..{A3down}A3;
+ drawarrow
+ B3m..A3+B2up**1.5aw..{A3down}A3;
)
%---------------------------------------
MCat(1,0)(<30,?6,{1,5}=dl,4://NH2)
+ %---------------------------------------
add(
labeloffset:=.7aw;
label.top(plus,A7);
label.urt(minus,A3);
label(lonepair A3ang,A3+A3up**.7aw);
)
+ %---------------------------------------
ext(drawdblarrow (.4w,.4h)..(.55w,.4h);)
%---------------------------------------
endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-%%%\newpage
+\newpage
\subsection{Function ext()}
\begin{verbatim}
(Extra graphic to font)
@@ -1118,10 +1159,12 @@ endfont
aw: atom font size
em: label font size
p0: fmargin
+
n: molecular number
p[m]: molecular origin position
w[m]: molecular width
h[m]: molecular height
+
ratio_thickness_char:
pen thickness / char width
%----------------------------------------
@@ -1129,17 +1172,22 @@ beginfont()
fsize:=(70mm,30mm;);
blength:=0.065;
%---------------------------------------
- MCat(0.1,0.5)
- (<-210,60`1,60`1,60`1,{1,3}=dl,
- 1:/R1,4:/R2^-60)
- add(defaultscale:=0.6;
- label.bot("Diene",p0+(0.5w,0));)
- MCat(0.4,0.5)
- (<-30,-60`1,1=dl,1:/R3,2:/R4^60)
+ MCat(0.1,0.5)(
+ <-210,60`1,60`1,60`1,{1,3}=dl,
+ 1:/R1,4:/R2^-60
+ )
+ add(
+ defaultscale:=0.6;
+ label.bot("Diene",p0+(0.5w,0));
+ )
+ MCat(0.4,0.5)(
+ <-30,-60`1,1=dl,1:/R3,2:/R4^60)
add(defaultscale:=0.6;
- label.bot("Dienophile",p0+(.5w,0));)
- MCat(0.9,0.5)
- (<30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1)
+ label.bot("Dienophile",p0+(.5w,0));
+ )
+ MCat(0.9,0.5)(
+ <30,?6,6=dl,2:/R2,3:/R4,4:/R3,5:/R1
+ )
%---------------------------------------
ext(
drawarrow (.52w,.5h)..(.6w,.5h);
@@ -1154,7 +1202,7 @@ endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Local ext() setting}
+\subsubsection{Local ext() setting}
\begin{verbatim}
beginfont("EN:?3")
fsize:=(12mm,15mm);
@@ -1177,7 +1225,7 @@ beginfont("EN:?5")
endfont
\end{verbatim}
\MCFgraph\MCFgraph\MCFgraph\MCFgraph
-\subsection{Global ext() setting}
+\subsubsection{Global ext() setting}
\begin{verbatim}
ext_clear: reset global ext()
@@ -1206,114 +1254,93 @@ endfont
\end{verbatim}
\MCFgraph\MCFgraph\MCFgraph\MCFgraph
%-----------------------------------------------------------------------------
+\newpage
%-----------------------------------------------------------------------------
\section{MCF example}
%-----------------------------------------------------------------------------
\subsection{Luciferin}
\begin{verbatim}
- <30,Ph,3=?5,8:\,?5,{9,16}=dl,
- {9,14}:N,{7,11}:S,
- 1:/OH,-2:*/COOH
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Limonin}
-\begin{verbatim}
- <30,?6,{-3,-4}=?6,-5=?3,
- -2=wf,-1=wb,6=?5,-4=?6,-5=wf,
- {13,15,17,20}:O,{3,12,21}://O,
- {4~wf^60,8~zf^60,18^35,18^-35}:/_,
- {1^60,5^180,16^60}:/*H,
- 14:\*,|,?5,{1,4}=dl,3:O
+beginfont("EN:Luciferin","MW:280.33")
+ fsize:=(60mm,20mm);
+ MC(
+ <30,Ph,3=?5,8:\,?5,{9,16}=dl,
+ {9,14}:N,{7,11}:S,1:/OH,-2:*/COOH
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Sesamine}
+\subsection{Colchicine}
\begin{verbatim}
- <54,?5,1=?5,
- {4,7}:O,{1^-54,2^54}:*/H,
- 5:*\^-12,Ph,-3=?5,{-1,-3}:O,
- 8:*\^-12,Ph,-3=?5,{-1,-3}:O
+beginfont("EN:Colchicine","MW:385.41")
+ fsize:=(60mm,25mm);
+ MC(
+ <30,Ph,{1,2,6}:/O!,|,-4=?7,
+ |,-5=?7,{-1,-4,-6}=dl,
+ -2://O,-3:/O!,
+ $9:\,NH,!,//O,!
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
-\subsection{Colchicine}
+\subsection{Paclitaxel}
\begin{verbatim}
- <30,Ph,{1,2,6}:/O!,
- -4=?7,-5=?7,
- {-1,-4,-6}=dl,-2://O,-3:/O!,
- 9:\,NH,!,//O,!
+beginfont("EN:Paclitaxel","MW:853.91")
+ MC(
+ ?6,5=dl,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
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Lycorine}
\begin{verbatim}
- <30,Ph,
- -4=?6,-2=?6,6=?5,(9,12)=?5[3],
- 13=dl,
- 8:N,{15,17}:O,
- 9:/*H^180,10:*/H^60,
- 13:*/OH,14:/*OMe
+beginfont("EN:Lycorine","MW:287.31")
+ fsize:=(60mm,25mm);
+ MC(<30,
+ Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3],
+ 13=dl,8:N,{15,17}:O,
+ 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Gibberellin}
\begin{verbatim}
- <18,?5,3=?7,5=?6[12],
- 8:@,160`1.3,3:#,
- 13=dl,6=wf,8=wb,
- 5:@,40~zf`1,O,60,//O^180,14~zb:#,
- 2:/COOH,7://_,13:*/OH,8:/*OH,
- 14:*/_,{1,4}:*/H^60
+beginfont("EN:Gibberellin","MW:346.37");
+ fsize:=(60mm,20mm);
+ MC(
+ <18,?5,3=?7,5=?6[12],8:@,160`1.3,3:#,
+ 13=dl,6=wf,8=wb,
+ 5:@,40~zf`1,O,50,//O^180,14~zb:#,
+ 2:/COOH,7://_,13:*/OH,8:/*OH,
+ 14:*/_,{1,4}:*/H^60
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
\subsection{Quinine}
\begin{verbatim}
- <30,Ph,3=Ph,7:N,6:/O!,
- 10:\,*/OH,/H~zf^-60,!,
- |,?6,2:N,1:*/H^60,
- 4:*\,!!,
- 2:@,165~zf,60,5~zb:#
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Atoropin}
-\begin{verbatim}
- <-30,O,!,//O,!,!,Ph,
- $1:@,-60~zb,
- |,?7,6:*\^190`1.02,N,/_,3~wb:#,
- $3:*\*,!,OH
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Rotenone}
-\begin{verbatim}
- <-60,?5,{-3,-2,-3,-4}=?6,
- {7,9,-2,-4}=dl,{3,17}=dr,
- {2,13,16}:O,10://O,{11^-60,12^60}:*/H,
- {-2,-3}:/O!,1:*\,/_,!!
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Pyrethrin I}
-\begin{verbatim}
- <30,?3,{3^35~wf,3^-35~zf}:/_,
- 1:*\,!!,iPr,2:\*,//O,!,O,-36~zb,|,
- ?5,-2=d,-1:/_,-3://O,-2\,!4,{-1,-3}=dl
-\end{verbatim}
-\MCFgraph
-%-----------------------------------------------------------------------------
-\subsection{Paclitaxel}
-\begin{verbatim}
- ?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
+beginfont("EN:Quinine","MW:324.42")
+ fsize:=(60mm,25mm);
+ MC(
+ <30,Ph,3=Ph,7:N,6:/O!,
+ 10:\,*/OH,/H~zf^-60,!,
+ |,?6,2:N,1:*/H^60,4:*\,!!,
+ 2:@,165~zf,60,5~zb:#
+ )
+endfont
\end{verbatim}
\MCFgraph
%-----------------------------------------------------------------------------
@@ -1503,8 +1530,8 @@ cFM : molecular formula calculated
\end{verbatim}
\paragraph{(Command line)}
\begin{verbatim}
- >mpost -s ahlength=5 -s FILENAME % MOL(V2000)
- >mpost -s ahlength=6 -s FILENAME % MOL(V3000)
+ >mpost -s ahlength=5 FILENAME % MOL(V2000)
+ >mpost -s ahlength=6 FILENAME % MOL(V3000)
\end{verbatim}
\paragraph{(Output)}
\begin{verbatim}
@@ -1640,14 +1667,14 @@ endfont;
%--------------------------------------------------------------------
\begin{document}
\unitlength=1mm%
-\INFO{F:mcf_man_soc,C:134,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:135,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:138,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:139,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
\end{document}
%--------------------------------------------------------------------
\end{verbatim}%
%############################################################################
%------------------------------------------------------------------------
-\INFO{F:mcf_man_soc,C:134,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
-\INFO{F:mcf_man_soc,C:135,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
+\INFO{F:mcf_man_soc,C:138,NO:1,cMW:349.40462,cFM:C16H19N3O4S,EN:Ampicillin}%
+\INFO{F:mcf_man_soc,C:139,NO:2,cMW:386.6532,cFM:C27H46O,EN:Cholesterol}%
%------------------------------------------------------------------------
\end{document}