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 | 109 |
1 files changed, 53 insertions, 56 deletions
diff --git a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex index db265456303..8c50cf9dc56 100644 --- a/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex +++ b/Master/texmf-dist/doc/metapost/mcf2graph/mcf_manual.tex @@ -530,7 +530,7 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ inset hetero atom and substituent simultaneously - <30,!2,NH,!,SO,!,SOO,!3 + <30,!2,NH,!,SO,!,SOO,! \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -548,10 +548,10 @@ pk font,PNG,SVG,EPS or MDL MOL file(V2000).\\ %----------------------------------------------------------------------------- \subsubsection{Make block} \begin{verbatim} - { : start brock - } : end brock + |< : start brock + >| : end brock - <30,!2,{,``1.2,!2,},!2 + <30,!2,|<,``1.2,!2,>|,!2 \end{verbatim} \MCFstructure %----------------------------------------------------------------------------- @@ -1120,12 +1120,12 @@ endfont \begin{verbatim} label: sw_label=0: emulation mode - sw_label=1: metapost mode + sw_label=1: plain.mp mode **default sw_label=0 drawarrow & drawdblarrow: sw_arrow=0: emulation mode - sw_arrow=1: metapost mode + sw_arrow=1: plain.mp mode **default sw_arrow=0 \end{verbatim} %----------------------------------------------------------------------------- @@ -1276,7 +1276,7 @@ drawarrow & drawdblarrow: %----------------------------------------------------------------------------- \subsection{Paclitaxel} \begin{verbatim} - ?6,5=d,3*,{,``1,36,45,45,45,45,},, + ?6,5=d,3*,|<,``1,36,45,45,45,45,>|,, -4=?6,-4=?4,-1=wb,-3=wf,-1:O,||, @(4^35,4^-35,6)/_,@(3^-60,15)*/OH, 8:/*H^-60,9:*/_^60,10://O, @@ -1425,55 +1425,52 @@ cFM : molecular formula calculated \end{verbatim} \paragraph{(Output)} \begin{verbatim} -%------------------------------------------------------------------ -% Molecular name = Caffeine -% Warnings = 0 / Expanded command = 80 -% Width * Height = 54.31772 * 50.43338 -% Shift width * height = -12.59462 * -17.49146 -% Bond length = 12.75589 Atom size = 5.38914 -% Atom count= 14 Bond count= 15 Ring count= 2 Hide H count= 10 -%------------------------------------------------------------------ -%< NO. >( x axis , y axis )< atom >< bond >< hide_H > -% A1 ( 0 , 0 ) C 4 -% A2 ( 0.866 , -0.5 ) N 3 -% A3 ( 1.732 , 0 ) C 4 -% A4 ( 1.732 , 1 ) C 4 -% A5 ( 0.866 , 1.5 ) C 4 -% A6 ( 0 , 1 ) N 3 -% A7 ( 2.683 , -0.309 ) N 3 -% A8 ( 3.271 , 0.5 ) C 3 1 -% A9 ( 2.683 , 1.309 ) N 3 -% A10 ( 0.866 , -1.371 ) C 1 3 -% A11 ( -0.776 , 1.448 ) C 1 3 -% A12 ( -0.776 , -0.448 ) O 2 -% A13 ( 0.866 , 2.371 ) O 2 -% A14 ( 2.955 , 2.147 ) C 1 3 -%------------------------------------------------------------------ -%< NO. >< bond (sdt)><angle + ( +- )><length ( pt )> -% B1 1 -> 2 ( 1) 330 ( -30) 1 ( 12.76) -% B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76) -% B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76) -% B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76) -% B5 5 -> 6 ( 1) 210 ( -150) 1 ( 12.76) -% B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76) -% B7 3 -> 7 ( 1) 342 ( -18) 1 ( 12.76) -% B8 7 -> 8 ( 2) 54 ( 54) 1 ( 12.76) -% B9 8 -> 9 ( 1) 126 ( 126) 1 ( 12.76) -% B10 9 -> 4 ( 1) 198 ( -162) 0.66 ( 8.42) -% B11 2 -> 10 ( 1) 270 ( -90) 0.66 ( 8.42) -% B12 6 -> 11 ( 1) 150 ( 150) 0.66 ( 8.42) -% B13 1 -> 12 ( 2) 210 ( -150) 0.66 ( 8.42) -% B14 5 -> 13 ( 2) 90 ( 90) 0.66 ( 8.42) -% B15 9 -> 14 ( 1) 72 ( 72) 0.66 ( 8.42) -%------------------------------------------------------------------ -% C ( 12.0107) * 8 = 96.08557 -% H ( 1.00793) * 10 = 10.07935 -% N ( 14.0067) * 4 = 56.0268 -% O ( 15.9994) * 2 = 31.99881 -% Monoisotopic mass: 194.08038 -% Weight Calc: 194.1905 / Input: 194.194 / weight gap= -0.00348 -% Fomula Calc: C8H10N4O2 / Input: -%================================================================== +------------------------------------------------------------------ + Molecular name = Nicotine + Warnings = 0 / Expanded command = 40 + Width * Height = 49.57332 * 41.37605 + Shift width * height = 0 * -9.07253 + Bond length = 12.75589 Atom size = 5.38914 + Atom count= 12 Bond count= 13 Ring count= 2 Hide H count= 14 +------------------------------------------------------------------ +< NO. >( x axis , y axis )< atom >< bond >< hide_H > + A1 ( 0 , 0 ) C 3 1 + A2 ( 0.866 , -0.5 ) N 3 + A3 ( 1.732 , 0 ) C 3 1 + A4 ( 1.732 , 1 ) C 4 + A5 ( 0.866 , 1.5 ) C 3 1 + A6 ( 0 , 1 ) C 3 1 + A7 ( 2.304 , 1.33 ) C 3 1 + A8 ( 3.217 , 0.923 ) N 3 + A9 ( 3.886 , 1.666 ) C 2 2 + A10 ( 3.386 , 2.532 ) C 2 2 + A11 ( 2.408 , 2.325 ) C 2 2 + A12 ( 3.399 , 0.067 ) C 1 3 +------------------------------------------------------------------ +< NO. >< bond (sdt)><angle + ( +- )><length ( pt )> + B1 1 -> 2 ( 2) 330 ( -30) 1 ( 12.76) + B2 2 -> 3 ( 1) 30 ( 30) 1 ( 12.76) + B3 3 -> 4 ( 2) 90 ( 90) 1 ( 12.76) + B4 4 -> 5 ( 1) 150 ( 150) 1 ( 12.76) + B5 5 -> 6 ( 2) 210 ( -150) 1 ( 12.76) + B6 6 -> 1 ( 1) 270 ( -90) 1 ( 12.76) + B7 4 -> 7 ( 1) 30 ( 30) 0.66 ( 8.42) + B8 7 -> 8 ( 1) 336 ( -24) 1 ( 12.76) + B9 8 -> 9 ( 1) 48 ( 48) 1 ( 12.76) + B10 9 -> 10 ( 1) 120 ( 120) 1 ( 12.76) + B11 10 -> 11 ( 1) 192 ( -168) 1 ( 12.76) + B12 11 -> 7 ( 1) 264 ( -96) 1 ( 12.76) + B13 8 -> 12 ( 1) 282 ( -78) 0.66 ( 8.42) +------------------------------------------------------------------ +<atom>( atom wt )[ mi wt ] < cnt > < sum wt >[ sum mi wt ] + C ( 12.0107)[ 12] * 10 = 120.10696[ 120] + H ( 1.00793)[ 1.00783] * 14 = 14.11108[ 14.10959] + N ( 14.0067)[ 14.00307] * 2 = 28.0134[ 28.00613] + Molecular Weight [Mono Isotopic] = 162.2314[ 162.11572] +------------------------------------------------------------------ + Weight Calc: 162.2314 / Input: 162.23 / weight gap= 0.00145 + Fomula Calc: C10H14N2 / Input: +================================================================== \end{verbatim}% \newpage %------------------------------------------------------------------------ |