diff options
author | Karl Berry <karl@freefriends.org> | 2015-11-28 22:41:52 +0000 |
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committer | Karl Berry <karl@freefriends.org> | 2015-11-28 22:41:52 +0000 |
commit | c85f67e23f290760ad7afb4bb91c5f02738e36ca (patch) | |
tree | d183aa14b1eb0e79856b202d15f42bc797969ffb /Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | |
parent | f2d572f6ee7793c79591858e9836b95a58fee041 (diff) |
mcf2graph (28nov15)
git-svn-id: svn://tug.org/texlive/trunk@38970 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 399 |
1 files changed, 199 insertions, 200 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index aefede167ae..fc0678a82a8 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,16 +1,14 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2015.10.17 +% Molecular Coding Format manual by Akira Yamaji 2015.10.19 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} %%%%\usepackage[pdftex]{graphicx} %%%%\usepackage{epstopdf} -\pagestyle{empty} -\topmargin=-18mm +\topmargin=-20mm \textheight=27.5cm -\textwidth=18cm -\oddsidemargin=-9mm -\parindent=0mm +\textwidth=16.8cm +\oddsidemargin=0mm \unitlength=1mm% \makeatletter %---------------------------------------------------------------------------- @@ -24,47 +22,46 @@ \def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1} %---------------------------------------------------------------------------- \def\MCFstru{% - \rlap{\makebox(77,0)[t]{\makebox(68,33){\@strufont\char\fontnum}}}% + \rlap{\makebox(77,3.5)[t]{\makebox(68,43.27){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax}% \def\MCFstructure{% - \makebox(77,0)[t]{\frame{\makebox(68,33){\@strufont\char\fontnum}}}% + \makebox(77,3.5)[t]{\frame{\makebox(68,43.27){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}% %---------------------------------------------------------------------------- \begin{document} -\noindent% -\begin{picture}(180,0) - \put(20,9){{\LARGE\bf Molecular Coding Format manual}\hspace{10mm} - by Akira Yamaji 2015.10.17} -\end{picture}\vspace{-4.2mm}\\ +\begin{center} + {\LARGE\bf Molecular Coding Format manual}\vspace{3mm}\\ + Author : Akira Yamaji \quad Date : 2015.11.14\\ + Located at : http://mirror.ctan.org/pkg/graphics/mcf2graph\\ +\end{center} +\hspace{8mm}% +\begin{minipage}{145mm} +\quad Molecular Coding Format(MCF) is new linear notation represent chmical + structure diagram. This 'Coding' is named from coding(programing) technique + like adressing,grouping,macro,etc. There are no Meta language commands in MCF. + mcf2graph.mf(metapost/metafont macro) convert MCF file to graphics file + pk font,PNG,SVG,EPS or MDL MOL file(V2000). \\ +\end{minipage}\vspace{3mm}\\ +\linethickness{0.08mm}% %---------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} -\MCFtitle{Chain (1)} +\pagestyle{empty}% +\noindent% +\begin{minipage}[t][38mm]{90mm} +\MCFtitle{Chain} \begin{verbatim} plus(+):anticlockwize,minus(-)clockwize +! : take value depend on + current angle and enviroment <30,-60,60,-60,60,-60,60 + <30,!,!,!,!,!,! - ** bold arrow is default angle and position -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{6mm}\\ -%1---------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} -\MCFtitle{Chain (2)} -\begin{verbatim} -!,: take 60 or -60 depend on - current angle and enviroment - - !6 - - ** !6: !,!,!,!,!,! \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ring} \begin{verbatim} six membered ring @@ -72,25 +69,27 @@ six membered ring ?6 ** ?6 : <-120,60,60,60,60,60,&1 - &1 : make bond connect to A1 - + ** &1 : make bond connect to A1 \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Rotate current angle} \begin{verbatim} <angle:rotate current angle <30,!4,<30,?6 + + ** !4: !,!,!,! + ** bold arrow is default angle and position \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change bond type (1)} \begin{verbatim} ~bond change bond @@ -102,9 +101,9 @@ six membered ring \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change bond type (2)} \begin{verbatim} Bn=bond type : change bond type at Bn @@ -117,9 +116,9 @@ six membered ring \end{verbatim} \end{minipage} \MCFstructure -\newpage +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change bond length (1)} \begin{verbatim} Bn`length : change bond length at Bn @@ -128,9 +127,9 @@ Bn`length : change bond length at Bn \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change bond length (2)} \begin{verbatim} ``length : change all bond length after @@ -139,9 +138,9 @@ Bn`length : change bond length at Bn \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change chain length (3)} \begin{verbatim} ?n`length : change ring length @@ -150,9 +149,9 @@ Bn`length : change bond length at Bn \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom (1)} \begin{verbatim} Insert hetero atom @@ -161,9 +160,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom (2)} \begin{verbatim} 2:O : change A2 C to O @@ -175,9 +174,9 @@ An(n:numeric): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom (3)} \begin{verbatim} 2:N : change A2 C to N @@ -186,9 +185,9 @@ An(n:numeric): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom (brock address)} \begin{verbatim} 2:N : change A2(brock address) C to N @@ -199,9 +198,9 @@ An(n:numeric): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atoma (absolute address)} \begin{verbatim} #2:N : change A#2 C to N @@ -210,9 +209,9 @@ An(n:numeric): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom (relative address)} \begin{verbatim} -2:N : change A(-2) C to N @@ -221,9 +220,9 @@ An(n:numeric): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Fuse ring (attached 1 bond)} \begin{verbatim} ?6,3=?5 : fuse ?5 at B3 @@ -234,9 +233,9 @@ Bn(n:numeric): bond number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Fuse multi ring (attached 1 bond)} \begin{verbatim} @@ -246,24 +245,24 @@ Bn(n:numeric): bond number \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Fuse ring (attached 2 bond)} \begin{verbatim} (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 -MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4]) -MCd(1,.6)(.5,1)(<30,?6,3=?6,(11,4)=?5[3]) -MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) +MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4]) +MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3]) +MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Fuse ring (attached 3,4 bond)} \begin{verbatim} (16,4)=?6[3] : fuse 3/6 ring to B16..B4 @@ -276,9 +275,9 @@ MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Spiro ring} \begin{verbatim} 4*,?5 : add ?5(5 membered ring) at A4 @@ -289,9 +288,9 @@ An* : jump to An \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Branch bond (1)} \begin{verbatim} 2\ : 2*,0 4*\ : 4*,0~wf @@ -301,9 +300,9 @@ MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Branch bond (2)} \begin{verbatim} 2\~dr : 2*,0~dr @@ -315,9 +314,9 @@ MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Insert substituent(1)} \begin{verbatim} MCf(<30, @@ -328,9 +327,9 @@ MCf(<30, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Insert substituent(2)} \begin{verbatim} / : single // : double @@ -341,9 +340,9 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Insert substituent(3)} \begin{verbatim} ~,^,`,> : change type,angle,length,enviroment @@ -355,23 +354,23 @@ MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Add substituent(1)} \begin{verbatim} sw_numberA:=1; numberA_end:=_skeletonA_end; MCf(<30,!11, - 2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) + 2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) ** _skeletonA_end : end number of molecular skeleton atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Add substituent(2)} \begin{verbatim} ~,^,`,> : change type,angle,length,enviroment @@ -382,9 +381,9 @@ MCf(<30,?6, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Add substituent(3)} \begin{verbatim} ~,^,`,> : change type,angle,length,enviroment @@ -395,9 +394,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain strech direction environment (1)} \begin{verbatim} >hz : horizontal enviroment (default) @@ -405,14 +404,14 @@ MCF(<30,!7`1, ?4, @(3^-90,3^-30,3^90)/'(!3,"{>hz}")>hz, - @(1^-60,1`1.5,1^60)/'(!2,"{>vt}")>vt + @(1^-60,1`2,1^60)/'(!2,"{>vt}")>vt \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain strech direction environment (2)} \begin{verbatim} >lr : left-right enviroment @@ -425,9 +424,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain strech direction environment (3)} \begin{verbatim} >45 : fixed angle enviroment @@ -438,9 +437,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change atom and Substituent} \begin{verbatim} NH,SOO : inset hetero atom and substituent @@ -451,9 +450,9 @@ NH,SOO : inset hetero atom and substituent \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Change color} \begin{verbatim} @(5)green : change color of A5 green @@ -465,13 +464,13 @@ $(3)red : change color of B3 red \end{verbatim} \end{minipage} %%%%\MCFstructure % for Metafont -\makebox(75,0)[t]{\frame{\makebox(70,35)% -{\includegraphics{mcf_man_soc-032.eps}}}}% for dvipdfmx -%%%%{\includegraphics[width=30mm]{mcf_man_soc-030.png}}}}% for pdfLaTeX +\makebox(77,3.5)[t]{\frame{\makebox(68,43.27)% +{\includegraphics{mcf_man_soc-031.eps}}}}% for dvipdfmx +%%%%{\includegraphics[width=30mm]{mcf_man_soc-031.png}}}}% for pdfLaTeX \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Chain start multiple characters} \begin{verbatim} if chain start multi charactor string, @@ -483,9 +482,9 @@ use !0 instead of ! \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{User definition} \begin{verbatim} iBuOH : user defined substructure @@ -496,9 +495,9 @@ iBuOH : user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Inline definition} \begin{verbatim} Insert user defined substructure @@ -508,9 +507,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(1) Ampicillin} \begin{verbatim} @@ -521,9 +520,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(2) Cholesterol} \begin{verbatim} @@ -534,9 +533,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(3) alfa-Tocopherol} \begin{verbatim} @@ -546,9 +545,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(4) Caffeine} \begin{verbatim} @@ -558,9 +557,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(5) Lycorine} \begin{verbatim} @@ -570,9 +569,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Example(6) Gibberellin} \begin{verbatim} @@ -583,9 +582,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Font size} \begin{verbatim} beginfont("EN:Caffeine") @@ -598,232 +597,232 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Max ratio bond/width length} \begin{verbatim} max_bond_width:=0.10; MCd(1,1)( 0, .5)(<30,Ph) - max_bond_width:=0.15; %<<== default + max_bond_width:=0.15; %<<== : default MCd(1,1)(.33,.5)(<30,Ph) - max_bond_width:=0.30; + max_bond_width:=0.25; MCd(1,1)( 1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio thickness/bond length} \begin{verbatim} ratio_thickness_bond:= 0.005; MCd(1,.6)(0, .5)(<30,Ph) -ratio_thickness_bond:= 0.015; %<<== default +ratio_thickness_bond:= 0.015; %<<== MCd(1,.6)(.5,.5)(<30,Ph) ratio_thickness_bond:= 0.030; MCd(1,.6)(1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Offset thickness of bond} \begin{verbatim} beginfont() offset_thickness#:=0pt#; MCd(1,.3)(0, .5)(<30,Ph) endfont -beginfont() offset_thickness#:=0.2pt#; %<<== default +beginfont() offset_thickness#:=0.2pt#; %<<== MCd(1,.3)(.5,.5)(<30,Ph) endfont beginfont() offset_thickness#:=0.5pt#; MCd(1,.3)(1, .5)(<30,Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio char/bond thickness} \begin{verbatim} ratio_char_bond:=1.0; MCd(1,.6)(0, .5)(<30,?6,5:O,2:NH) -ratio_char_bond:=1.5; %<<== default +ratio_char_bond:=1.5; %<<== MCd(1,.6)(.5,.5)(<30,?6,5:O,2:NH) ratio_char_bond:=2.0; MCd(1,.6)(1, .5)(<30,?6,5:O,2:NH) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio bondgap/bond length} \begin{verbatim} ratio_bondgap_bond:= 0.10; MCd(1,.6)(0, .5)(<30,Ph) -ratio_bondgap_bond:= 0.15; %<<== default +ratio_bondgap_bond:= 0.15; %<<== MCd(1,.6)(.5,.5)(<30,Ph) ratio_bondgap_bond:= 0.20; MCd(1,.6)(1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Offset of doublebond gap} \begin{verbatim} beginfont() offset_bond_gap#:=0.0pt#; MCd(1,.3)(0, .5)(<30,Ph) endfont -beginfont() offset_bond_gap#:=0.3pt#; %<<== default +beginfont() offset_bond_gap#:=0.3pt#; %<<== MCd(1,.3)(.5,.5)(<30,Ph) endfont beginfont() offset_bond_gap#:=1.0pt#; MCd(1,.3)(1, .5)(<30,Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio atom/bond length} \begin{verbatim} ratio_atom_bond:= 0.25; MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) -ratio_atom_bond:= 0.36; %<<== default +ratio_atom_bond:= 0.36; %<<== MCd(1,.6)(.5,.5)(<30,?6,@(2,5)O) ratio_atom_bond:= 0.45; MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Offset of atom width} \begin{verbatim} beginfont() offset_atom#:=0.0pt#; MCd(1,.3)(0, .5)(<30,Ph,@(2,4,6)N) endfont -beginfont() offset_atom#:=0.8pt#; %<<== default +beginfont() offset_atom#:=0.8pt#; %<<== MCd(1,.3)(.5,.5)(<30,Ph,@(2,4,6)N) endfont beginfont() offset_atom#:=2.0pt#; MCd(1,.3)(1, .5)(<30,Ph,@(2,4,6)N) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio wedge/bond length} \begin{verbatim} ratio_wedge_bond:=0.10; MCd(1,.6)(0, .5)(<30,?6,5:*/Me) -ratio_wedge_bond:=0.12; %<<== default +ratio_wedge_bond:=0.12; %<<== MCd(1,.6)(.5,.5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.20;; MCd(1,.6)(1, .5)(<30,?6,5:*/Me) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Offset of wedge width} \begin{verbatim} beginfont("EN:Offset_wedge") offset_wedge#:=0.0pt#; MCd(1,.3)(0, .5)(<30,?6,5:*/Me) endfont -beginfont() offset_wedge#:=0.4pt#; %<<== default +beginfont() offset_wedge#:=0.4pt#; %<<== MCd(1,.3)(.5,.5)(<30,?6,5:*/Me) endfont beginfont() offset_wedge#:=1.0pt#; MCd(1,.3)(1, .5)(<30,?6,5:*/Me) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio font atom gap/atom length} \begin{verbatim} ratio_atomgap_atom:=0.0; MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) -ratio_atomgap_atom:=0.050; %<<== default +ratio_atomgap_atom:=0.050; %<<== MCd(1,.6)(.5,.5)(<30,?6,@(2,5)O) ratio_atomgap_atom:=0.12; MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio chain/ring length} \begin{verbatim} ratio_chain_ring:= 0.4; MCd(1,.6)(0, .5)(<30,?6,5:/Et) -ratio_chain_ring:= 0.66; %<<== default +ratio_chain_ring:= 0.66; %<<== MCd(1,.6)(.5,.5)(<30,?6,5:/Et) ratio_chain_ring:= 1.0; MCd(1,.6)(1, .5)(<30,?6,5:/Et) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Ratio zebra gap/bond length} \begin{verbatim} ratio_zebragap_bond:=0.06; MCd(1,.6)(0, .5)(<30,Ph,5:/*Me`1) -ratio_zebragap_bond:=0.12; %<<== default +ratio_zebragap_bond:=0.12; %<<== MCd(1,.6)(.5,.5)(<30,Ph,5:/*Me`1) ratio_zebragap_bond:=0.20; MCd(1,.6)(1, .5)(<30,Ph,5:/*Me`1) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Margin left and right} \begin{verbatim} margin_left_right:=0mm; MCd(1,1)(0.5,0.9)(<30,CH3,!0,!17,CH3) -margin_left_right:=0.4mm; %<<== default +margin_left_right:=0.4mm; %<<== MCd(1,1)(0.5,0.5)(<30,CH3,!0,!17,CH3) margin_left_right:=5mm; MCd(1,1)(0.5,0.1)(<30,CH3,!0,!17,CH3) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Margin top and bottom} \begin{verbatim} margin_top_bottom:=0mm; MCd(1,1)(0.1,0.5)(<30,Ph,2:/OH,5:/NH2) -margin_top_bottom:=0.4mm; %<<== default +margin_top_bottom:=0.4mm; %<<== MCd(1,1)(0.5,0.5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=5mm; MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch Start Vector} \begin{verbatim} - MCd(1,.8)( 0,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.6)( 0,0.5)(<30,Ph,4:/Cl,3:/F) sw_start_vector:=1; - MCd(1,.8)( 1,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.6)( 1,0.5)(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch Numbering atom} \begin{verbatim} numberA_start:=3; numberA_end:=8; @@ -836,9 +835,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch Numbering bond} \begin{verbatim} numberB_start:=3; numberB_end:=8; @@ -851,9 +850,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch font frame} \begin{verbatim} sw_font_frame:=1; @@ -862,21 +861,21 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch molecular frame} \begin{verbatim} - MCd(1,.8)(0,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.6)(0,0.5)(<30,Ph,4:/Cl,3:/F) sw_mol_frame:=1; - MCd(1,.8)(1,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.6)(1,0.5)(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch atom frame} \begin{verbatim} @@ -886,9 +885,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch solid mode} \begin{verbatim} @@ -898,9 +897,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Switch Expand} \begin{verbatim} @@ -910,9 +909,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Function MCd (draw)} \begin{verbatim} MCd(a,b)(c,d)(...) @@ -925,9 +924,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Function MCf (fit draw)} \begin{verbatim} MCf(...) : MCd(1,1)(0.5,0.5)(...) @@ -938,9 +937,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Local setting} \begin{verbatim} beginfont("NO:1") @@ -953,9 +952,9 @@ beginfont("NO:3") \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Global setting} \begin{verbatim} sw_mol_frame:=1; % <<== Global setting @@ -968,9 +967,9 @@ beginfont("NO:3") \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Output molecular infomation} \begin{verbatim} beginfont() sw_info_weight:=sw_info_formula:=1; @@ -983,9 +982,9 @@ FMc:calculated molecular formula \end{verbatim} \end{minipage} \MCFstructure -\vspace{6mm}\\ +\vspace{5mm}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][38mm]{100mm} +\begin{minipage}[t][38mm]{90mm} \MCFtitle{Output additional infomation} \begin{verbatim} beginfont("EN:Caffeine","CAS:58-08-2") |