diff options
author | Norbert Preining <norbert@preining.info> | 2020-07-27 03:01:06 +0000 |
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committer | Norbert Preining <norbert@preining.info> | 2020-07-27 03:01:06 +0000 |
commit | f1968eac3c6db5bdcc0de5a6131142a612d9e5ea (patch) | |
tree | d03f33798989126c281b6cbee80158bf1675e4d6 /graphics/mcf2graph/mcf_manual.tex | |
parent | ab72bdd179c9a64d43313beb199d0fdf7fef8c83 (diff) |
CTAN sync 202007270301
Diffstat (limited to 'graphics/mcf2graph/mcf_manual.tex')
-rw-r--r-- | graphics/mcf2graph/mcf_manual.tex | 363 |
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} |