diff options
Diffstat (limited to 'Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex')
-rw-r--r-- | Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex | 243 |
1 files changed, 118 insertions, 125 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index ba72be66e32..46013f01487 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -1,5 +1,5 @@ %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% -% Molecular Coding Format manual by Akira Yamaji 2015.9.18 +% Molecular Coding Format manual by Akira Yamaji 2015.9.22 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \documentclass[a4paper]{article} \usepackage[dvipdfmx]{graphicx} @@ -34,7 +34,7 @@ \noindent% \begin{picture}(180,0) \put(20,9){{\LARGE\bf Molecular Coding Format manual}\hspace{10mm} - by Akira Yamaji 2015.9.18} + by Akira Yamaji 2015.9.22} \end{picture}\vspace{-4.2mm}\\ %---------------------------------------------------------------------------- \begin{minipage}[t][38mm]{100mm} @@ -43,7 +43,7 @@ plus(+):anticlockwize,minus(-)clockwize bold arrow is default angle and position - ^^30,-60,60,-60,60,-60,60 + <30,-60,60,-60,60,-60,60 \end{verbatim} \end{minipage} \MCFstructure @@ -70,7 +70,7 @@ six membered ring ?6 - ** ?6 : ^^-120,60,60,60,60,60,&1 + ** ?6 : <-120,60,60,60,60,60,&1 &1 : make bond connect to A1 \end{verbatim} @@ -81,9 +81,9 @@ six membered ring \begin{minipage}[t][38mm]{100mm} \MCFtitle{Rotate current angle} \begin{verbatim} -^^angle:rotate current angle +<angle:rotate current angle - ^^30,!4,^^30,?6 + <30,!4,<30,?6 \end{verbatim} \end{minipage} \MCFstructure @@ -97,7 +97,7 @@ six membered ring wf:wedge forward,wb:wedge backward, zf:wedge dotted,zb:wedge dotted backward - ^^30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb + <30,!~dm,!~dl,!~dr,!~wf,!~wb,!~zf,!~zb \end{verbatim} \end{minipage} \MCFstructure @@ -111,7 +111,7 @@ six membered ring tm:triple, wv:waved, bd:broad single, ov:over line - ^^30,!9,1=vf,2=vb,3=tm,4=dt,5=wv, + <30,!9,1=vf,2=vb,3=tm,4=dt,5=wv, @(7~bd^-45`2,9~ov^45`2)/Me \end{verbatim} \end{minipage} @@ -123,7 +123,7 @@ six membered ring \begin{verbatim} Bn`length : change bond length at Bn - ^^30,!2,!2`1.2,!2 + <30,!2,!2`1.2,!2 \end{verbatim} \end{minipage} \MCFstructure @@ -134,7 +134,7 @@ Bn`length : change bond length at Bn \begin{verbatim} ``length : change all bond length after - ^^30,!2,``1.2,!3 + <30,!2,``1.2,!4 \end{verbatim} \end{minipage} \MCFstructure @@ -145,7 +145,7 @@ Bn`length : change bond length at Bn \begin{verbatim} ?n`length : change ring length - ^^30,?6,3\,|,?6`1.2,4=?6 + <30,?6,3\,|,?6`1.2,4=?6 \end{verbatim} \end{minipage} \MCFstructure @@ -156,7 +156,7 @@ Bn`length : change bond length at Bn \begin{verbatim} Insert hetero atom - ^^30,!2,O,!2 + <30,!2,O,!2 \end{verbatim} \end{minipage} \MCFstructure @@ -168,7 +168,7 @@ Insert hetero atom 2:O : change A2 C to O @(3,5)N : change A3,A5 C to N - ^^30,!6,2:O,@(3,5)N + <30,!6,2:O,@(3,5)N An(n:numeric): atom number \end{verbatim} @@ -254,9 +254,9 @@ Bn(n:numeric): bond number (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,$(3)?6,(11,4)=?4[2]) +MCd(1,.7)( 0,0)(<30,?6,3=?6,(11,4)=?6[4]) +MCd(1,.6)(.5,1)(<30,?6,3=?6,(11,4)=?5[3]) +MCd(1,.6)( 1,0)(<30,?6,3=?6,(11,4)=?4[2]) \end{verbatim} \end{minipage} \MCFstructure @@ -269,9 +269,9 @@ Bn(n:numeric): bond number (16,4)=?5[2] : fuse 2/5 ring to B16..B4 (21,3)=?6[2] : fuse 2/6 ring to B21..B3 -MCd(1,.55)(0,0)(?6,$(3,10)?6,(16,4)=?6[3]) +MCd(1,.55)( 0, 0)(?6,$(3,10)?6,(16,4)=?6[3]) MCd(1,.55)(.43,1)(?6,$(3,10)?6,(16,4)=?5[2]) -MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)?6,(21,3)=?6[2]) +MCd(1,.53)(1,0)(<30,?6,$(2,10,15)?6,(21,3)=?6[2]) \end{verbatim} \end{minipage} \MCFstructure @@ -282,7 +282,7 @@ MCd(1,.53)(1,0)(^^30,?6,$(2,10,15)?6,(21,3)=?6[2]) \begin{verbatim} 4*,?5 : add ?5(5 membered ring) at A4 -^^30,!6,4*,?5 +<30,!6,4*,?5 An* : jump to An \end{verbatim} @@ -296,7 +296,7 @@ An* : jump to An 2\ : 2*,0 4*\ : 4*,0~wf 6\* : 6*,0~zf 8\\ : 8*,0~dm -MCf(^^30,!8,2\,!,4*\,!,6\*,!,8\\,!) +MCf(<30,!8,2\,!,4*\,!,6\*,!,8\\,!) \end{verbatim} \end{minipage} \MCFstructure @@ -309,7 +309,7 @@ MCf(^^30,!8,2\,!,4*\,!,6\*,!,8\\,!) 4\`1.5 : 4*,0`1.5 6\^15 : 6*,0^15 -MCf(^^-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) +MCf(<-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) \end{verbatim} \end{minipage} @@ -319,8 +319,8 @@ MCf(^^-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) \begin{minipage}[t][38mm]{100mm} \MCFtitle{Insert substituent(1)} \begin{verbatim} -^^30, -!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,! +MCf(<30, +!,/Me,!,/Et,!3,/Pr,!,/iPr,!3,/tBu,!,/Ph^-30,!) ** Me:methyl Et:ethyl Pr:propyl iPr:isopropyl tBu:tertial buthyl Ph:phenyl @@ -336,7 +336,7 @@ MCf(^^-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) */ : wedge forward /* : wedge backward ** : direct - ^^30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,! +MCf(<30,!,//O,!,/*H,!,*/H,!,/?3,!,**?3,!) \end{verbatim} \end{minipage} \MCFstructure @@ -348,8 +348,8 @@ MCf(^^-30,!6,2\~dr,!,4\`1.5,!,6\^15,-60) ~,^,`,> : change type,angle,length,enviroment of substituent -MCf(^^30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, - !2`1,*/Pr>lr,!2`1,*/Pr>rl,!`1) +MCf(<30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, + !2`1,*/Pr>lr,!2`1,*/Pr>rl,!`1) \end{verbatim} \end{minipage} @@ -360,7 +360,7 @@ MCf(^^30,!`1,/Me~zf`2^30,!`1,/Me~zf`2^30, \MCFtitle{Add substituent(1)} \begin{verbatim} sw_numberA:=1; numberA_end:=_skeletonA_end; -mcf(^^30,!11, +MCf(<30,!11, 2:/Me,3:/Et,6:/Pr,7:/iPr,10:/tBu,11:/Ph^-30) ** _skeletonA_end : @@ -376,8 +376,7 @@ mcf(^^30,!11, ~,^,`,> : change type,angle,length,enviroment of substituent -sw_numberA:=1; numberA_end:=_skeletonA_end; -MCf(^^30,?6, +MCf(<30,?6, @(3`2^30,3~wf,4~zf,6~wf^-30,6~zf^30)/H) \end{verbatim} \end{minipage} @@ -390,8 +389,7 @@ MCf(^^30,?6, ~,^,`,> : change type,angle,length,enviroment of substituent -sw_numberA:=1; numberA_end:=_skeletonA_end; -MCF(^^30,!7`1, +MCF(<30,!7`1, @(2,3)/*Me`2^30,5:*/Pr>lr,7:*/Pr>rl) \end{verbatim} \end{minipage} @@ -419,7 +417,7 @@ MCF(^^30,!7`1, >lr : left-right enviroment >rl : right-left enviroment - ^^30,!6, + <30,!6, @(3^-30,3,3^30)/'(!3,"{>lr}")>lr, @(5^-30,5,5^30)/'(!3,"{>rl}")>rl @@ -431,10 +429,10 @@ MCF(^^30,!7`1, \begin{minipage}[t][38mm]{100mm} \MCFtitle{Chain strech direction environment (3)} \begin{verbatim} ->45 : fixed angle enviroment ->'(-90,90,-90) : multi angle enviroment + >45 : fixed angle enviroment + >'(-90,90,-90) : multi angle enviroment - ^^-30,!6,@(2>45)/'(!3,"{>45}"), + <-30,!6,@(2>45)/'(!3,"{>45}"), @(6>'(-90,90,-90))/'(!2,"{>(-90,90,-90)}") \end{verbatim} \end{minipage} @@ -447,7 +445,7 @@ MCF(^^30,!7`1, NH,SOO : inset hetero atom and substituent simultaneously - ^^30,!3,NH,!,SOO,!3 + <30,!3,NH,!,SOO,!3 \end{verbatim} \end{minipage} @@ -460,7 +458,7 @@ NH,SOO : inset hetero atom and substituent @(5)green : change color of A5 green $(3)red : change color of B3 red - ^^30,Ph,@(2,5)N, + <30,Ph,@(2,5)N, 2:red,5:blue,3=green \end{verbatim} @@ -478,9 +476,9 @@ $(3)red : change color of B3 red if chain start multi charactor string, use !0 instead of ! - MCd( 1,1)(0 ,0.9)(^^30,COOH,!0,!3,COOH) + MCd( 1,1)(0 ,0.9)(<30,COOH,!0,!3,COOH) - MCd(.8,1)(0.3,0.1)(^^30,COOH,!4,COOH) + MCd(.8,1)(0.3,0.1)(<30,COOH,!4,COOH) \end{verbatim} \end{minipage} \MCFstructure @@ -492,7 +490,7 @@ use !0 instead of ! iBuOH : user defined substructure iBuOH:='(!,/Me,!,OH) - MCf(^^30,?6,@(4,6)/iBuOH) + MCf(<30,?6,@(4,6)/iBuOH) \end{verbatim} \end{minipage} @@ -504,7 +502,7 @@ iBuOH : user defined substructure \begin{verbatim} Insert user defined substructure - ^^30,!3,/'(!,/Me,!,OH),!3 + <30,!3,/'(!,/Me,!,OH),!3 \end{verbatim} \end{minipage} @@ -515,8 +513,7 @@ Insert user defined substructure \MCFtitle{Example(1) Ampicillin} \begin{verbatim} - ^^45, - ?4,2:N,2=?5,-1:S, + <45,?4,2:N,2=?5,-1:S, @(3^45,4^-45)/*H,1://O^15, 5:/*COOH^-18,@(6^35,6^-35)/Me, 4\^75,NH,!,//O,!,NH,!,Ph @@ -529,8 +526,7 @@ Insert user defined substructure \MCFtitle{Example(2) Cholesterol} \begin{verbatim} - ^^30, - ?6,$(-4,-2)?6,-4=?5,7=dl, + <30,?6,$(-4,-2)?6,-4=?5,7=dl, 1:*/OH,@(4,12)*/Me^60,9:*/H^60, 10:/*H^180,@(11,-1)/*H^-60, -1\^17,/*Me,!4,/Me,!, @@ -543,8 +539,7 @@ Insert user defined substructure \MCFtitle{Example(3) alfa-Tocopherol} \begin{verbatim} - ^^30, - Ph,3=?6, + <30,Ph,3=?6, 7:O,@(1,2,5)/Me,8:/*Me^60,6:/OH, 8\,|,!12,@(4,8)/*Me,12:/Me \end{verbatim} @@ -556,9 +551,9 @@ Insert user defined substructure \MCFtitle{Example(4) Caffeine} \begin{verbatim} - ^^30, - ?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, - @(2,6,9)/Me,@(1,5)//O + <30,?6,-4=?5,$(3,8)dl, + @(2,6,7,9)N,@(2,6,9)/Me, + @(1,5)//O \end{verbatim} \end{minipage} \MCFstructure @@ -568,8 +563,7 @@ Insert user defined substructure \MCFtitle{Example(5) Lycorine} \begin{verbatim} - ^^30, - Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], + <30,Ph,-4=?6,-2=?6,6=?5,(9,12)=?5[3], 13=dl,8:N,@(15,17)O, 9:/*H^180,10:*/H^60,13:*/OH,14:/*OH \end{verbatim} @@ -581,8 +575,7 @@ Insert user defined substructure \MCFtitle{Example(6) Gibberellin} \begin{verbatim} - ^^12, - ?6`1.3,3=?5,9=?7,12\^160`1.6,&8, + <12,?6`1.3,3=?5,9=?7,12\^160`1.6,&8, 4\^155~zf`1.2,O,55,//O^180`1,&2~zb, 5=dl,11=wf,13=wb,7:/COOH,11://Me,1:*/OH, 12:/*OH,2:*/Me,@(3^-60,9^60)*/H @@ -598,7 +591,7 @@ Insert user defined substructure font_wd#:=30mm#; %<==font width font_ht#:=20mm#; %<==font height sw_font_frame:=1; - MCf(^^30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, + MCf(<30,?6,-4=?5,$(3,8)dl,@(2,6,7,9)N, @(2,6,9)/Me,@(1,5)//O) endfont \end{verbatim} @@ -610,11 +603,11 @@ Insert user defined substructure \MCFtitle{Max ratio bond/width length} \begin{verbatim} max_bond_width:=0.10; - MCd(1,1)(0, .5)(^^30,Ph) + MCd(1,1)( 0, .5)(<30,Ph) max_bond_width:=0.15; %<<== default - MCd(1,1)(.33, .5)(^^30,Ph) + MCd(1,1)(.33,.5)(<30,Ph) max_bond_width:=0.30; - MCd(1,1)(1, .5)(^^30,Ph) + MCd(1,1)( 1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure @@ -624,11 +617,11 @@ Insert user defined substructure \MCFtitle{Ratio thickness/bond length} \begin{verbatim} ratio_thickness_bond:= 0.005; -MCd(1,.6)(0, .5)(^^30,Ph) +MCd(1,.6)(0, .5)(<30,Ph) ratio_thickness_bond:= 0.015; %<<== default -MCd(1,.6)(.5, .5)(^^30,Ph) +MCd(1,.6)(.5,.5)(<30,Ph) ratio_thickness_bond:= 0.030; -MCd(1,.6)(1, .5)(^^30,Ph) +MCd(1,.6)(1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure @@ -638,11 +631,11 @@ MCd(1,.6)(1, .5)(^^30,Ph) \MCFtitle{Offset thickness of bond} \begin{verbatim} beginfont() offset_thickness#:=0pt#; -MCd(1,.3)(0, .5)(^^30,Ph) endfont +MCd(1,.3)(0, .5)(<30,Ph) endfont beginfont() offset_thickness#:=0.2pt#; %<<== default -MCd(1,.3)(.5, .5)(^^30,Ph) endfont +MCd(1,.3)(.5,.5)(<30,Ph) endfont beginfont() offset_thickness#:=0.5pt#; -MCd(1,.3)(1, .5)(^^30,Ph) endfont +MCd(1,.3)(1, .5)(<30,Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -652,11 +645,11 @@ MCd(1,.3)(1, .5)(^^30,Ph) endfont \MCFtitle{Ratio char/bond thickness} \begin{verbatim} ratio_char_bond:=1.0; -MCd(1,.6)(0, .5)(^^30,?6,5:O,2:NH) +MCd(1,.6)(0, .5)(<30,?6,5:O,2:NH) ratio_char_bond:=1.5; %<<== default -MCd(1,.6)(.5, .5)(^^30,?6,5:O,2:NH) +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) +MCd(1,.6)(1, .5)(<30,?6,5:O,2:NH) \end{verbatim} \end{minipage} \MCFstructure @@ -666,11 +659,11 @@ MCd(1,.6)(1, .5)(^^30,?6,5:O,2:NH) \MCFtitle{Ratio bondgap/bond length} \begin{verbatim} ratio_bondgap_bond:= 0.10; -MCd(1,.6)(0, .5)(^^30,Ph) +MCd(1,.6)(0, .5)(<30,Ph) ratio_bondgap_bond:= 0.15; %<<== default -MCd(1,.6)(.5, .5)(^^30,Ph) +MCd(1,.6)(.5,.5)(<30,Ph) ratio_bondgap_bond:= 0.20; -MCd(1,.6)(1, .5)(^^30,Ph) +MCd(1,.6)(1, .5)(<30,Ph) \end{verbatim} \end{minipage} \MCFstructure @@ -680,11 +673,11 @@ MCd(1,.6)(1, .5)(^^30,Ph) \MCFtitle{Offset of doublebond gap} \begin{verbatim} beginfont() offset_bond_gap#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,Ph) endfont +MCd(1,.3)(0, .5)(<30,Ph) endfont beginfont() offset_bond_gap#:=0.3pt#; %<<== default -MCd(1,.3)(.5, .5)(^^30,Ph) endfont +MCd(1,.3)(.5,.5)(<30,Ph) endfont beginfont() offset_bond_gap#:=1.0pt#; -MCd(1,.3)(1, .5)(^^30,Ph) endfont +MCd(1,.3)(1, .5)(<30,Ph) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -694,11 +687,11 @@ MCd(1,.3)(1, .5)(^^30,Ph) endfont \MCFtitle{Ratio atom/bond length} \begin{verbatim} ratio_atom_bond:= 0.25; -MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O) +MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) ratio_atom_bond:= 0.36; %<<== default -MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O) +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) +MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \end{verbatim} \end{minipage} \MCFstructure @@ -708,11 +701,11 @@ MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O) \MCFtitle{Offset of atom width} \begin{verbatim} beginfont() offset_atom#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,Ph,@(2,4,6)N) endfont +MCd(1,.3)(0, .5)(<30,Ph,@(2,4,6)N) endfont beginfont() offset_atom#:=0.8pt#; %<<== default -MCd(1,.3)(.5, .5)(^^30,Ph,@(2,4,6)N) endfont +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 +MCd(1,.3)(1, .5)(<30,Ph,@(2,4,6)N) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -722,11 +715,11 @@ MCd(1,.3)(1, .5)(^^30,Ph,@(2,4,6)N) endfont \MCFtitle{Ratio wedge/bond length} \begin{verbatim} ratio_wedge_bond:=0.10; -MCd(1,.6)(0, .5)(^^30,?6,5:*/Me) +MCd(1,.6)(0, .5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.12; %<<== default -MCd(1,.6)(.5, .5)(^^30,?6,5:*/Me) +MCd(1,.6)(.5,.5)(<30,?6,5:*/Me) ratio_wedge_bond:=0.20;; -MCd(1,.6)(1, .5)(^^30,?6,5:*/Me) +MCd(1,.6)(1, .5)(<30,?6,5:*/Me) \end{verbatim} \end{minipage} \MCFstructure @@ -737,11 +730,11 @@ MCd(1,.6)(1, .5)(^^30,?6,5:*/Me) \begin{verbatim} beginfont("EN:Offset_wedge") offset_wedge#:=0.0pt#; -MCd(1,.3)(0, .5)(^^30,?6,5:*/Me) endfont +MCd(1,.3)(0, .5)(<30,?6,5:*/Me) endfont beginfont() offset_wedge#:=0.4pt#; %<<== default -MCd(1,.3)(.5, .5)(^^30,?6,5:*/Me) endfont +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 +MCd(1,.3)(1, .5)(<30,?6,5:*/Me) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -751,11 +744,11 @@ MCd(1,.3)(1, .5)(^^30,?6,5:*/Me) endfont \MCFtitle{Ratio font atom gap/atom length} \begin{verbatim} ratio_atomgap_atom:=0.0; -MCd(1,.6)(0, .5)(^^30,?6,@(2,5)O) +MCd(1,.6)(0, .5)(<30,?6,@(2,5)O) ratio_atomgap_atom:=0.050; %<<== default -MCd(1,.6)(.5, .5)(^^30,?6,@(2,5)O) +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) +MCd(1,.6)(1, .5)(<30,?6,@(2,5)O) \end{verbatim} \end{minipage} \MCFstructure @@ -765,11 +758,11 @@ MCd(1,.6)(1, .5)(^^30,?6,@(2,5)O) \MCFtitle{Ratio chain/ring length} \begin{verbatim} ratio_chain_ring:= 0.4; -MCd(1,.6)(0, .5)(^^30,?6,5:/Et) +MCd(1,.6)(0, .5)(<30,?6,5:/Et) ratio_chain_ring:= 0.66; %<<== default -MCd(1,.6)(.5, .5)(^^30,?6,5:/Et) +MCd(1,.6)(.5,.5)(<30,?6,5:/Et) ratio_chain_ring:= 1.0; -MCd(1,.6)(1, .5)(^^30,?6,5:/Et) +MCd(1,.6)(1, .5)(<30,?6,5:/Et) \end{verbatim} \end{minipage} \MCFstructure @@ -779,11 +772,11 @@ MCd(1,.6)(1, .5)(^^30,?6,5:/Et) \MCFtitle{Ratio zebra gap/bond length} \begin{verbatim} ratio_zebragap_bond:=0.06; -MCd(1,.6)(0, .5)(^^30,Ph,5:/*Me`1) +MCd(1,.6)(0, .5)(<30,Ph,5:/*Me`1) ratio_zebragap_bond:=0.12; %<<== default -MCd(1,.6)(.5, .5)(^^30,Ph,5:/*Me`1) +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) +MCd(1,.6)(1, .5)(<30,Ph,5:/*Me`1) \end{verbatim} \end{minipage} \MCFstructure @@ -793,11 +786,11 @@ MCd(1,.6)(1, .5)(^^30,Ph,5:/*Me`1) \MCFtitle{Margin left and right} \begin{verbatim} margin_left_right:=0mm; -MCd(1,1)(0.5,0.9)(^^30,CH3,!0,!17,CH3) +MCd(1,1)(0.5,0.9)(<30,CH3,!0,!17,CH3) margin_left_right:=0.4mm; %<<== default -MCd(1,1)(0.5,0.5)(^^30,CH3,!0,!17,CH3) +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) +MCd(1,1)(0.5,0.1)(<30,CH3,!0,!17,CH3) \end{verbatim} \end{minipage} \MCFstructure @@ -807,11 +800,11 @@ MCd(1,1)(0.5,0.1)(^^30,CH3,!0,!17,CH3) \MCFtitle{Margin top and bottom} \begin{verbatim} margin_top_bottom:=0mm; -MCd(1,1)(0.1,0.5)(^^30,Ph,2:/OH,5:/NH2) +MCd(1,1)(0.1,0.5)(<30,Ph,2:/OH,5:/NH2) margin_top_bottom:=0.4mm; %<<== default -MCd(1,1)(0.5,0.5)(^^30,Ph,2:/OH,5:/NH2) +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) +MCd(1,1)(0.9,0.5)(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure @@ -821,9 +814,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \MCFtitle{Switch Start Vector} \begin{verbatim} - MCd(1,.8)( 0,0.5)(^^30,Ph,4:/Cl,3:/F) + MCd(1,.8)( 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,.8)( 1,0.5)(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure @@ -834,9 +827,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \begin{verbatim} numberA_start:=3; numberA_end:=8; - sw_numberA:=1; MCd(1,1)(.5,.9)(^^30,!9) - sw_numberA:=2; MCd(1,1)(.5,.5)(^^30,!9) - sw_numberA:=3; MCd(1,1)(.5,.1)(^^30,!9) + sw_numberA:=1; MCd(1,1)(.5,.9)(<30,!9) + sw_numberA:=2; MCd(1,1)(.5,.5)(<30,!9) + sw_numberA:=3; MCd(1,1)(.5,.1)(<30,!9) ** default: numberA_start=1 numberA_end=4095 \end{verbatim} @@ -849,9 +842,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \begin{verbatim} numberB_start:=3; numberB_end:=8; - sw_numberB:=1; MCd(1,1)(.5,.9)(^^30,!9) - sw_numberB:=2; MCd(1,1)(.5,.5)(^^30,!9) - sw_numberB:=3; MCd(1,1)(.5,.1)(^^30,!9) + sw_numberB:=1; MCd(1,1)(.5,.9)(<30,!9) + sw_numberB:=2; MCd(1,1)(.5,.5)(<30,!9) + sw_numberB:=3; MCd(1,1)(.5,.1)(<30,!9) ** default: numberB_start=1 numberB_end=4095 \end{verbatim} @@ -864,7 +857,7 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \begin{verbatim} sw_font_frame:=1; - MCf(^^30,Ph,4:/Cl,3:/F) + MCf(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure @@ -874,9 +867,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \MCFtitle{Switch molecular frame} \begin{verbatim} - MCd(1,.8)(0,0.5)(^^30,Ph,4:/Cl,3:/F) + MCd(1,.8)(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,.8)(1,0.5)(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure @@ -888,7 +881,7 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) sw_atom_frame:=1; - MCf(^^30,Ph,4:/COOH,3:/OH) + MCf(<30,Ph,4:/COOH,3:/OH) \end{verbatim} \end{minipage} \MCFstructure @@ -898,9 +891,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \MCFtitle{Switch solid mode} \begin{verbatim} - MCd(1,.8)( 0,0.5)(^^30,Ph,4:/Cl,3:/F) + MCd(1,.8)( 0,0.5)(<30,Ph,4:/Cl,3:/F) sw_solid:=1; ratio_bond_width:=0.08; - MCd(1,.8)( 1,0.5)(^^30,Ph,4:/Cl,3:/F) + MCd(1,.8)( 1,0.5)(<30,Ph,4:/Cl,3:/F) \end{verbatim} \end{minipage} \MCFstructure @@ -910,9 +903,9 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \MCFtitle{Switch Expand} \begin{verbatim} - MCd(1,.6)(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,.6)(1,0.5)(<30,Ph,4:/COOH,3:/NH2) \end{verbatim} \end{minipage} \MCFstructure @@ -926,8 +919,8 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) b: ratio molecular hight/font hight 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) + 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 @@ -940,7 +933,7 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) sw_font_frame:=1; sw_mol_frame:=1; - MCf(^^30,Ph,2:/OH,5:/NH2) + MCf(<30,Ph,2:/OH,5:/NH2) \end{verbatim} \end{minipage} \MCFstructure @@ -951,11 +944,11 @@ MCd(1,1)(0.9,0.5)(^^30,Ph,2:/OH,5:/NH2) \begin{verbatim} beginfont("NO:1") sw_mol_frame:=1; % <<== Local setting - MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont + MCd(1,.5)(0.0,0.5)(<30,Ph,@(2)N) endfont beginfont("NO:2") - MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont + MCd(1,.5)(0.5,0.5)(<30,Ph,@(2,4)N) endfont beginfont("NO:3") - MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont + MCd(1,.5)(1.0,0.5)(<30,Ph,@(2,4,6)N) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% @@ -966,11 +959,11 @@ beginfont("NO:3") \begin{verbatim} sw_mol_frame:=1; % <<== Global setting beginfont("NO:1") - MCd(1,.5)(0.0,0.5)(^^30,Ph,@(2)N) endfont + MCd(1,.5)(0.0,0.5)(<30,Ph,@(2)N) endfont beginfont("NO:2") - MCd(1,.5)(0.5,0.5)(^^30,Ph,@(2,4)N) endfont + MCd(1,.5)(0.5,0.5)(<30,Ph,@(2,4)N) endfont beginfont("NO:3") - MCd(1,.5)(1.0,0.5)(^^30,Ph,@(2,4,6)N) endfont + MCd(1,.5)(1.0,0.5)(<30,Ph,@(2,4,6)N) endfont \end{verbatim} \end{minipage} \MCFstru\MCFstru\MCFstructure% |