diff options
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG | 6 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/README | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf | bin | 247803 -> 247968 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf | 98 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf | bin | 418448 -> 433021 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 539 | ||||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf | bin | 123677 -> 123911 bytes | |||
| -rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex | 2 | ||||
| -rw-r--r-- | Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf | 12 |
9 files changed, 320 insertions, 339 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG index df5f12f2b27..622e67bbbd7 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG +++ b/Master/texmf-dist/doc/metapost/mcf2graph/CHANGELOG @@ -1,6 +1,10 @@ ******************************************************************************* - Changelog of mcf2graph software package by Akira Yamaji 2016-05-01 + Changelog of mcf2graph software package by Akira Yamaji 2016-05-05 ******************************************************************************* +[ver. 3.92 / 2016-05-05] + -Miner update + -update MCF syntax manual + [ver. 3.91 / 2016-05-01] -add information tag and var for fixed aux file -update MCF syntax manual diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/README b/Master/texmf-dist/doc/metapost/mcf2graph/README index 83affcc086c..11b882c6bb8 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/README +++ b/Master/texmf-dist/doc/metapost/mcf2graph/README @@ -1,7 +1,7 @@ ******************************************************************************** mcf2graph : Convert Molecular Coding Format to graphics with METAFONT/METAPOST Author : Akira Yamaji - version : 3.91 2016-05-01 + version : 3.92 2016-05-05 E-mail : mcf2graph@gmail.com Located at : http://www.ctan.org/pkg/mcf2graph ******************************************************************************** diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf Binary files differindex d3a9644fb70..53f0ecd4cba 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_example.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf index d0ba778edc9..f9bc1784425 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_man_soc.mf @@ -4,7 +4,7 @@ input mcf2graph.mf; %------------------------------------------------------------------------ font_wd#:=60mm#;% font width -font_ht#:=35mm#;% font height +font_ht#:=40mm#;% font height max_bond_width:=0.18; %------------------------------------------------------------------------ sw_auxout:=0; @@ -26,49 +26,32 @@ beginfont("NO:1","EN:Chlorophyll a","MW:893.49","FM:C55H72MgN4O5") ) endfont %*********************************************************************** -beginfont("EN:Chain") +beginfont("EN:Chain 1") sw_numberB:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - sw_start_vector:=1; - MCf(<30,-60,60,-60,60,-60,60) + MCf(<30,-60,60,-90,120,-90,60) endfont %*********************************************************************** -beginfont("EN:Chain") +beginfont("EN:Chain 2") sw_numberB:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - sw_start_vector:=1; - MCf(<30,!,!,!,!,!,!) -endfont -%*********************************************************************** -beginfont("EN:Chain") - sw_numberB:=1; - max_bond_width:=0.20; - ratio_chain_ring:=1; - sw_start_vector:=1; MCf(<30,!6) endfont %*********************************************************************** -beginfont("EN:Jump") - sw_numberA:=1; - max_bond_width:=0.20; - ratio_chain_ring:=1; - MCf(<30,!6,3*,0,!) -endfont -%*********************************************************************** -beginfont("EN:Branch") +beginfont("EN:Jump and Branch") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; MCf(<30,!6,3\,!) endfont %*********************************************************************** -beginfont("EN:Connect bond") +beginfont("EN:Connect atom") sw_numberA:=1; max_bond_width:=0.20; ratio_chain_ring:=1; - MCf(<30,!6,3\,-60,&5) + MCf(<30,!6,3\,!,&5) endfont %*********************************************************************** beginfont("EN:ring") @@ -126,33 +109,27 @@ beginfont("EN:change atom 2") endfont %*********************************************************************** beginfont("EN:change atom 3") - MCd(.5,.5)(.5,.9)(?6,4\,?6,2:N) + MCd(.7,1)(.5,1)(?6,4\,?6,2:N) sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.7,1)(.5,0)(?6,4\,?6) endfont %*********************************************************************** -beginfont("EN:change atom 4") - MCd(.5,.5)(.5,.9)(?6,4\,|,?6,2:N) +beginfont("EN:change atom brock address") + MCd(.7,1)(.5,1)(?6,4\,|,?6,2:O,||,2:N) sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.7,.5)(.5,0)(?6,4\,?6) endfont %*********************************************************************** -beginfont("EN:change atom 4") - MCd(.5,.5)(.5,.9)(?6,4\,|,?6,||,2:N) +beginfont("EN:change atom absolute address") + MCd(.7,1)(.5,1)(?6,4\,?6,#2:N) sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.7,1)(.5,0)(?6,4\,?6) endfont %*********************************************************************** -beginfont("EN:change atom 5") - MCd(.5,.5)(.5,.9)(?6,4\,?6,#2:N) - sw_numberA:=1; - MCd(.5,.5)(.5,.1)(?6,4\,?6) -endfont -%*********************************************************************** -beginfont("EN:change atom 6") - MCd(.5,.5)(.5,.9)(?6,4\,?6,-2:N) +beginfont("EN:change atom relative adress") + MCd(.7,1)(.5,1)(?6,4\,?6,-2:N) sw_numberA:=3; - MCd(.5,.5)(.5,.1)(?6,4\,?6) + MCd(.7,1)(.5,0)(?6,4\,?6) endfont %*********************************************************************** beginfont("EN:fused ring 1") @@ -169,16 +146,16 @@ endfont %*********************************************************************** beginfont("EN:fused ring 2") sw_numberB:=1; - MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd) - MCd(1,.6)(.54,1)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd) - MCd(1,.6)(1, 0)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd) + MCd(1,.62)( 0,0)(<30,?6,3=?6,(11,4)=?6[4],$(11,4)dt,$(12,13,14,15)bd) + MCd(1,.52)(.54,1)(<30,?6,3=?6,(11,4)=?5[3],$(11,4)dt,$(12,13,14)bd) + MCd(1,.52)(1, 0)(<30,?6,3=?6,(11,4)=?4[2],$(11,4)dt,$(12,13)bd) endfont %*********************************************************************** beginfont("EN:fused ring 3") sw_numberB:=1; - MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd) - MCd(1,.55)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd) - MCd(1,.68)(1,0)(?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd) + MCd(1,.55)(0 ,0)(?6,$(3,10)?6,(16,4)=?6[3],$(16,4)dt,$(17,18,19)bd) + MCd(1,.5)(.5,1)(?6,$(3,10)?6,(16,4)=?5[2],$(16,4)dt,$(17,18)bd) + MCd(1,.60)(1 ,0)(?6,$(3,10,15)?6,(21,4)=?6[2],$(21,4)dt,$(22,23)bd) endfont %*********************************************************************** beginfont("EN:Spiro ring ") @@ -416,11 +393,11 @@ endfont beginfont("EN:margin_top_bottom") sw_font_frame:=sw_mol_frame:=1; margin_top_bottom:=0mm; - MCd(1,1)(0.1, .5)(<30,Ph,2:/OH,5:/NH2) + MCd(1,1)(0.0, .5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=0.4mm; MCd(1,1)(0.5, .5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=5mm; - MCd(1,1)(0.9, .5)(<30,Ph,2:/OH,5:/NH2) + MCd(1,1)(1.0, .5)(<30,Ph,2:/OH,5:/NH2) endfont %*********************************************************************** beginfont("EN:Switwch numberingA") @@ -440,15 +417,15 @@ beginfont("EN:Switwch numberingB") endfont %*********************************************************************** beginfont("EN:Switwch substituent off") - MCd(1,.6)( 0, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_subst_off:=1; - MCd(1,.6)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch bondtype off") - MCd(1,.6)( 0, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_bond_single:=1; - MCd(1,.6)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch start vector") @@ -462,9 +439,9 @@ beginfont("EN:Switwch font frame") endfont %*********************************************************************** beginfont("EN:Switwch molecular frame") - MCd(1,.6)( 0, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 0, .5)(<30,Ph,4:/Cl,3:/F) sw_mol_frame:=1; - MCd(1,.6)( 1, .5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch atom frame") @@ -474,14 +451,15 @@ endfont %*********************************************************************** beginfont("EN:Switwch Solid ratio") MCd(1,.7)( 0, .5)(<30,Ph,4:/Cl,3:/F) - sw_solid:=1; ratio_bond_width:=0.08; + sw_solid:=1; + ratio_bond_width:=0.08; MCd(1,.7)( 1, .5)(<30,Ph,4:/Cl,3:/F) endfont %*********************************************************************** beginfont("EN:Switwch Expand") - MCd(1,.6)(0, .5)(<30,Ph,4:/COOH,3:/NH2) + MCd(.5,.5)(0, .5)(<30,Ph,4:/COOH,3:/NH2) sw_expand:=1; - MCd(1,.6)(1, .5)(<30,Ph,4:/COOH,3:/NH2) + MCd(.6,.6)(1, .5)(<30,Ph,4:/COOH,3:/NH2) endfont %*********************************************************************** beginfont("EN:MCd()") @@ -567,10 +545,6 @@ beginfont("EN:Gibberellin A3"); @(3^-60,9^60)*/H ) endfont -%************************************************************************** -beginfont("EN:Capsaicin") - MCf(<30,Ph,1:/OH,6:/OMe,4\,!,NH,!,//O,|,!8,-3=dr,-1:/Me) -endfont %*************************************************************************** beginfont("EN:Quinine") MCf(<30,Ph,3=Ph,7:N,6:/OMe, diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf Binary files differindex bab3f2e60ee..83e900a626c 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index 12d4a4c4da4..eee609e165e 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,12 +1,12 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2016.05.01 +% Molecular Coding Format manual by Akira Yamaji 2016.05.05 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} %%%%\usepackage[pdftex]{graphicx} %%%%\usepackage{epstopdf} \topmargin=-18mm -\textheight=255mm +\textheight=254mm \textwidth=168mm \oddsidemargin=0mm \unitlength=1mm% @@ -14,6 +14,10 @@ %---------------------------------------------------------------------------- \newcount \fontnum% \newcount \tempnum% +\newdimen \htman% +\newdimen \gpman% +\htman=47mm% +\gpman=4mm% \fontnum=1% \tempnum=1% %---------------------------------------------------------------------------- @@ -22,10 +26,10 @@ \def\MCFtitle#1{\framebox{\sf No.\the\tempnum}\hspace{2mm}\bf #1} %---------------------------------------------------------------------------- \def\MCFstru{% - \rlap{\makebox(72,3.5)[t]{\makebox(68,42.3){\@strufont\char\fontnum}}}% + \rlap{\makebox(72,4)[t]{\makebox(68,48){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax}% \def\MCFstructure{% - \makebox(72,3.5)[t]{\frame{\makebox(68,42.3){\@strufont\char\fontnum}}}% + \makebox(72,4)[t]{\frame{\makebox(68,48){\@strufont\char\fontnum}}}% \advance\fontnum\@ne\relax\advance\tempnum\@ne\relax}% %-------------------------------------------------------------------- \def\@F{F}\def\@C{C}\def\@EN{EN}\def\@NO{NO}\def\@MW{MW}\def\@cFM{cFM}% @@ -180,97 +184,78 @@ MW:molecular weight from literature data\vspace{5mm}\\ \newpage %---------------------------------------------------------------------------- \noindent -\begin{minipage}[t][37mm]{90mm} +%----------------------------------------------------------------------------- +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain(1)} \begin{verbatim} -plus(+):anticlockwize,minus(-):clockwize +plus (+): anticlockwize +minus(-): clockwize - <30,-60,60,-60,60,-60,60 + <30,-60,60,-90,120,-90,60 - ** bold arrow is default angle and position \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ -%---------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\vspace{\gpman}\\ +%----------------------------------------------------------------------------- +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain(2)} \begin{verbatim} -! : take value(60 or -60) depend on +! : take value 60 or -60 depend on current angle and enviroment - - <30,!,!,!,!,!,! - -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{5mm}\\ -%----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Chain(3)} -\begin{verbatim} !6 : !,!,!,!,!,! + <30,!,!,!,!,!,! <30,!6 -** !n(0<=n<=20) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Jump to atom} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Jump to atom and branch bond} \begin{verbatim} 3* : Jump to A3 +3\ : 3*,0 <30,!6,3*,0,! + <30,!6,3\, ! ** An(-999<=n<=4095): atom number \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ -%----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Jump to atom and branch bond} -\begin{verbatim} -3\ : 3*,0 - - <30,!6,3\,! - -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Connect bond} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Connect atom} \begin{verbatim} &5 : Connect to A5 - <30,!6,3\,-60,&5 + <30,!6,3\,!.&5 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Ring} \begin{verbatim} -six membered ring +?n : n membered ring ?6 ** ?6 : <-120,60,60,60,60,60,&1 ** ?n(3<=n<=20) + ** bold arrow is default angle and position \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Rotate current angle} \begin{verbatim} <angle : rotate current angle @@ -279,13 +264,13 @@ six membered ring \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change bond type (1)} \begin{verbatim} a~type : ~~type,a -dm:double, +dm:double middle, dl:double left side, dr:double right side, wf:wedge forward, wb:wedge backward, zf:wedge dotted, zb:wedge dotted backward @@ -294,27 +279,31 @@ zf:wedge dotted, zb:wedge dotted backward \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change bond type (2)} \begin{verbatim} Bn=bond type : change bond type at Bn -vf : vector forward, vb : vector backward -tm : triple, dt : dotted +vf : vector forward +vb : vector backward +tm : triple +dt : dotted wv : wave <30,!6,1=vf,2=vb,3=tm,4=dt,5=bz,5=wv \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change bond type (3)} \begin{verbatim} -bd : broad single bz : broad dotted -ov : over line $(2,4)dr : 2=dr,4=dr +bd : broad single +bz : broad dotted +ov : over line +$(2,4)dr : 2=dr,4=dr <30,!5,1=bz,$(2,4)dr, @(3~bd^-45`2,5~ov^45`2)/Me @@ -323,9 +312,9 @@ ov : over line $(2,4)dr : 2=dr,4=dr \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change bond length (1)} \begin{verbatim} (!,!n,?n)`length : change length of !,!n,?n @@ -336,9 +325,9 @@ ov : over line $(2,4)dr : 2=dr,4=dr \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change bond length (2)} \begin{verbatim} ``length : change all bond length after @@ -347,9 +336,9 @@ ov : over line $(2,4)dr : 2=dr,4=dr \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change ring length} \begin{verbatim} ?n`length : change ring length @@ -358,9 +347,9 @@ ov : over line $(2,4)dr : 2=dr,4=dr \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom (1)} \begin{verbatim} Insert hetero atom @@ -369,9 +358,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom (2)} \begin{verbatim} 2:O : change A2 C to O @@ -382,9 +371,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom (3)} \begin{verbatim} 2:N : change A2 C to N @@ -393,31 +382,21 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Change atom (brock address 1)} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Change atom (brock address)} \begin{verbatim} | : divide brock - -?6,4\,|,?6,2:N, -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{5mm}\\ -%----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Change atom (brock address 2)} -\begin{verbatim} || : reset brock adress -?6,4\,|,?6,||,2:N +?6,4\,|,?6,2:O,||,2:N \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom (absolute address)} \begin{verbatim} #2:N : change A#2 C to N @@ -428,9 +407,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom (relative address)} \begin{verbatim} -2:N : change A(-2) C to N @@ -441,9 +420,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Fuse ring (attached 1 bond)} \begin{verbatim} ?6,3=?5 : fuse ?5 at B3 @@ -454,9 +433,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Fuse multi ring (attached 1 bond)} \begin{verbatim} @@ -466,9 +445,9 @@ Insert hetero atom \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Fuse ring (attached 2 bond)} \begin{verbatim} (4,11)=?6[4] : fuse 4/6 ring to B11..B4 @@ -481,9 +460,9 @@ MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Fuse ring (attached 3,4 bond)} \begin{verbatim} (16,4)=?6[3] : fuse 3/6 ring to B16..B4 @@ -496,9 +475,9 @@ MCd(1,.68)(1, 0)(?6,$(3,10,15)?6,(21,4)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Spiro ring} \begin{verbatim} 4*,?5 : add ?5(5 membered ring) at A4 @@ -509,35 +488,37 @@ An* : jump to An \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Branch bond (1)} \begin{verbatim} -2\ : 2*,0 4*\ : 4*,0~wf -6\* : 6*,0~zf 8\\ : 8*,0~dm +2\ : 2*,0 +4*\ : 4*,0~wf +6\* : 6*,0~zf +8\\ : 8*,0~dm MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Branch bond (2)} \begin{verbatim} 2\~dr : 2*,0~dr 4\`1.5 : 4*,0`1.5 -6\^15 : 6*,0^15 +6\^15 : 6*,0^15 MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Insert substituent(1)} \begin{verbatim} MCf(<30, @@ -548,22 +529,24 @@ MCf(<30, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Insert substituent(2)} \begin{verbatim} -/ : single // : double -*/ : wedge forward /* : wedge dotted forward +/ : single +// : double +*/ : wedge forward +/* : wedge dotted forward ** : direct MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Insert substituent(3)} \begin{verbatim} ~,^,`,> : change type,angle,length,enviroment @@ -572,26 +555,24 @@ MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) MCf(<30,``1, !,/Me~zf`2^30,!,/Me~zf`2^30, !2,*/Pr>lr,!2,*/Pr>rl,!) - \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Add substituent(1)} \begin{verbatim} sw_numberA:=1; numberA_end:=12; MCf(<30,!11, 2:/Me,3:/Et,6:/Pr,7:/iPr, 10:/tBu,11:/Ph^-30) - \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Add substituent(2)} \begin{verbatim} ~,^,` : change type,angle,length @@ -602,9 +583,9 @@ MCf(<30,?6, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Add substituent(3)} \begin{verbatim} ~,^,`,> : change type,angle,length, @@ -615,9 +596,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain strech direction environment (1)} \begin{verbatim} >hz : horizontal enviroment (default) @@ -630,9 +611,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain strech direction environment (2)} \begin{verbatim} >lr : left-right enviroment @@ -645,9 +626,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain strech direction environment (3)} \begin{verbatim} >45 : fixed angle enviroment @@ -658,9 +639,9 @@ MCF(<30,!7`1, \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change atom and Substituent} \begin{verbatim} NH,SO,SOO : inset hetero atom and substituent @@ -671,9 +652,9 @@ NH,SO,SOO : inset hetero atom and substituent \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change color} \begin{verbatim} @(5)green : change color of A5 green @@ -690,9 +671,9 @@ $(3)red : change color of B3 red {\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{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Chain start multiple characters} \begin{verbatim} if chain start multi charactor string, @@ -704,9 +685,9 @@ use !0 instead of ! \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{User definition} \begin{verbatim} iBuOH : user defined substructure @@ -717,9 +698,9 @@ iBuOH : user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Inline definition} \begin{verbatim} Insert user defined substructure @@ -729,9 +710,9 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Font size} \begin{verbatim} beginfont("EN:Caffeine") @@ -744,220 +725,249 @@ Insert user defined substructure \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; MCd(1,1)(.33,.5)(<30,Ph) max_bond_width:=0.25; MCd(1,1)( 1, .5)(<30,Ph) + +** default: max_bond_width=0.15 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +ratio_thickness_bond:= 0.015; MCd(1,.6)(.5,.5)(<30,Ph) ratio_thickness_bond:= 0.030; MCd(1,.6)(1, .5)(<30,Ph) + +** default: ratio_thickness_bond=0.015 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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#; %<<== +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 + +** default: offset_thickness#=0.2pt# \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_char_bond=1.5 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +ratio_bondgap_bond:= 0.15; MCd(1,.6)(.5,.5)(<30,Ph) ratio_bondgap_bond:= 0.20; MCd(1,.6)(1, .5)(<30,Ph) + +** default: ratio_bondgap_bond=0.15 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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#; %<<== +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 + +** default: offset_bond_gap#=0.3pt# \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_atom_bond=0.36 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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#; %<<== +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 + +** default: offset_atom#=0.8pt# \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_wedge_bond=0.12 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Offset of wedge width} \begin{verbatim} -beginfont("EN:Offset_wedge") -offset_wedge#:=0.0pt#; +beginfont() offset_wedge#:=0.0pt#; MCd(1,.3)(0, .5)(<30,?6,5:*/Me) endfont -beginfont() offset_wedge#:=0.4pt#; %<<== +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 + +** default: offset_wedge#=0.4pt# \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_atomgap_atom=0.050 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_chain_ring=0.66 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: ratio_zebragap_bond=0.12 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: margin_left_right=0.4mm \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{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; %<<== +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) + +** default: margin_top_bottom=0.4mm \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch numbering atom} \begin{verbatim} numberA_start:=3; numberA_end:=8; @@ -970,9 +980,9 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch numbering bond} \begin{verbatim} numberB_start:=3; numberB_end:=8; @@ -985,147 +995,146 @@ MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch substituent off} \begin{verbatim} + MCd(1,.5)( 0,0.5)(<30,Ph,4:/Cl,3:/F) - MCd(1,.6)( 0,0.5)(<30,Ph,4:/Cl,3:/F) sw_subst_off:=1; - MCd(1,.6)( 1,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 1,0.5)(<30,Ph,4:/Cl,3:/F) ** default: sw_subst_off=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch all bond single} \begin{verbatim} + MCd(1,.5)( 0,0.5)(<30,Ph,4:/Cl,3:/F) - MCd(1,.6)( 0,0.5)(<30,Ph,4:/Cl,3:/F) sw_bond_single:=1; - MCd(1,.6)( 1,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)( 1,0.5)(<30,Ph,4:/Cl,3:/F) ** default: sw_bond_single=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch start vector} \begin{verbatim} sw_start_vector:=1; - MCf(<30,Ph,4:/Cl,3:/F) ** default: sw_start_vector=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch font frame} \begin{verbatim} sw_font_frame:=1; - MCf(<30,Ph,4:/Cl,3:/F) ** default: sw_font_frame=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch molecular frame} \begin{verbatim} + MCd(1,.5)(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,.6)(1,0.5)(<30,Ph,4:/Cl,3:/F) + MCd(1,.5)(1,0.5)(<30,Ph,4:/Cl,3:/F) ** default: sw_mol_frame=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch atom frame} \begin{verbatim} sw_atom_frame:=1; - MCf(<30,Ph,4:/COOH,3:/OH) ** default: sw_atom_frame=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch solid mode} \begin{verbatim} - MCd(1,.8)( 0,0.5)(<30,Ph,4:/Cl,3:/F) - sw_solid:=1; ratio_bond_width:=0.08; + + sw_solid:=1; + ratio_bond_width:=0.08; MCd(1,.8)( 1,0.5)(<30,Ph,4:/Cl,3:/F) ** default: sw_solid=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Switch Expand} \begin{verbatim} + MCd(1,.5)(0,0.5)(<30,Ph,4:/COOH,3:/NH2) - MCd(1,.6)(0,0.5)(<30,Ph,4:/COOH,3:/NH2) sw_expand:=1; - MCd(1,.6)(1,0.5)(<30,Ph,4:/COOH,3:/NH2) + MCd(1,.5)(1,0.5)(<30,Ph,4:/COOH,3:/NH2) ** default: sw_expand=0 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Function MCd (draw)} \begin{verbatim} MCd(a,b)(c,d)(...) a: ratio molecular width/font width b: ratio molecular hight/font hight - c: x axis position d:y axis position + c: x axis position + d: y axis position MCd(1,0.8)(0.2,0.9)(<30,Ph,2:/OH,5:/NH2) MCd(1,0.8)(0.8,0.1)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Function MCf (fit draw)} \begin{verbatim} MCf(...) : MCd(1,1)(0.5,0.5)(...) - sw_font_frame:=1; sw_mol_frame:=1; - + sw_font_frame:=1; + sw_mol_frame:=1; MCf(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Local setting} \begin{verbatim} beginfont() @@ -1137,9 +1146,9 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Global setting} \begin{verbatim} sw_mol_frame:=1; % <<== Global setting @@ -1149,9 +1158,9 @@ beginfont() MCd(1,.4)( 1,.5)(Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Output molecular information} \begin{verbatim} var3:="calc_weight"; tag3:="cMW"; @@ -1159,18 +1168,19 @@ var4:="calc_formula"; tag4:="cFM"; %% Output to mcf_man_soc-info.aux %% F:mcf_man_soc;C:85;cMW:194.19174;cFM:C8H10N4O2 -MWc:calculated molecular weight -FMc:calculated molecular formula +cMW:calculated molecular weight +cFM:calculated molecular formula \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Output additional information} \begin{verbatim} beginfont("EN:Tocopherol","CAS:59-02-9") MCf(...) endfont + %% Output to mcf_man_soc-info.aux %% F:mcf_man_soc;C:86;EN:Tocopherol;CAS:59-02-9 @@ -1179,14 +1189,15 @@ CAS:CAS number *:default output \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Change aux information delimiter} \begin{verbatim} aux_delimiter:="/"; beginfont("EN:Warfarin","CAS:81-81-2") MCf(...) endfont + %% Output to mcf_man_soc-info.aux %% F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2 @@ -1195,24 +1206,25 @@ F:mcf_man_soc/C:87/EN:Warfarin/CAS:81-81-2 \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Fixed aux information} \begin{verbatim} tag3:="NO"; var3:="inf_NO"; tag4:="EN"; var4:="inf_EN"; sw_auxfix:=1; auxtag_out; beginfont("EN:Ampicillin","NO:1") ... endfont + %% Output to mcf_man_soc-info.aux %% F;C;NO;EN mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Example(1) Cholesterol} \begin{verbatim} @@ -1223,9 +1235,9 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Example(2) Colchicine} \begin{verbatim} <30,Ph,@(1,2,6)/OMe,|,-4=?7, @@ -1234,9 +1246,9 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Example(3) Lycorine} \begin{verbatim} @@ -1246,9 +1258,9 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} +\begin{minipage}[t][\htman]{90mm} \MCFtitle{Example(4) Gibberellin} \begin{verbatim} <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8, @@ -1259,21 +1271,10 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ -%----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(5) Capsaicin} -\begin{verbatim} - <30,Ph, - 1:/OH,6:/OMe,4\,!,NH,!,//O, - |,!8,-3=dr,-1:/Me -\end{verbatim} -\end{minipage} -\MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(6) Quinine} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Example(5) Quinine} \begin{verbatim} <30,Ph,3=Ph,7:N,6:/OMe, 10\,*/OH,/H~zf^-60,!, @@ -1283,10 +1284,10 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(7) Atoropin} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Example(6) Atoropin} \begin{verbatim} <-30,O,!,//O,!,!,Ph, #1\~zb^-120, @@ -1295,10 +1296,10 @@ mcf_man_soc;88;1;Ampicillin \end{verbatim} \end{minipage} \MCFstructure -\vspace{5mm}\\ +\vspace{\gpman}\\ %----------------------------------------------------------------------------- -\begin{minipage}[t][37mm]{90mm} -\MCFtitle{Example(8) Paclitaxel} +\begin{minipage}[t][\htman]{90mm} +\MCFtitle{Example(7) Paclitaxel} \begin{verbatim} ?6,5=d,3*,{,``1,36,45,45,45,45,},, -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf Binary files differindex 40b550b849d..b3efc121b06 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.pdf diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex index 0c47c8960c1..78ecaeecb20 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_mplib_exa.tex @@ -206,5 +206,3 @@ endfont; \MOLcaption{110mm}{70mm}\\% %---------------------------------------------------------------------------- \end{document} -ment} -ment} diff --git a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf index c923e973f3a..16bff0230c9 100644 --- a/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf +++ b/Master/texmf-dist/metapost/mcf2graph/mcf2graph.mf @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% mcf2graph ver 3.91 Copyright (c) 2013-2016 Akira Yamaji +% mcf2graph ver 3.92 Copyright (c) 2013-2016 Akira Yamaji % % Permission is hereby granted, free of charge, to any person obtaining a copy of this software % and associated documentation files (the "Software"), to deal in the Software without restriction, @@ -171,9 +171,13 @@ for i=1 upto cntA: xpos:=xpart(posA[i]); ypos:=ypart(posA[i]); enddef; %------------------------------------------------------------------------------------------------- def resize(expr WD,HT)= - if (len_y/len_x)>(font_ht/font_wd): factor:=(font_ht*HT-2margin_top_bottom)/len_y; - else: factor:=(font_wd*WD-2margin_left_right)/len_x; fi - ratio_bond_width:=ratio_bond_width*factor; len_x:=len_x*factor; len_y:=len_y*factor; + if (len_y/len_x)>(font_ht/font_wd): + factor:=(font_ht*HT-2margin_top_bottom)/len_y; + else: + factor:=(font_wd*WD-2margin_left_right)/len_x; + fi + ratio_bond_width:=ratio_bond_width*factor; + len_x:=len_x*factor; len_y:=len_y*factor; enddef; %------------------------------------------------------------------------------------------------- for i=1 upto 128: f_FON[i]:=0; endfor asc0:=ASCII("0"); asc9:=ASCII("9"); |