Re: [NTG-context] Drawing chemical structures

2013-11-21 Thread Alan Braslau
On Thu, 21 Nov 2013 15:55:09 -0500
Aditya Mahajan adit...@umich.edu wrote:

 Unicode alpha gets translated to \greekalpha, so you need a font
 (like dejavu) that includes those glyphs

Yes, thanks for this clarification.
When I tested this earlier, I was indeed using dejavu...
In the chemistry macros, we are using a particular version of
mathematics mode (subscripts, superscripts, ...) but in normal font, so
greek characters, etc. will work if the font includes them.

Alan
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Re: [NTG-context] Drawing chemical structures

2013-11-21 Thread Aditya Mahajan

On Thu, 21 Nov 2013, Alan Braslau wrote:


(For some reason, unicode \alpha currently disappears - a font issue.
This worked early so is indeed a bug.)


Unicode alpha gets translated to \greekalpha, so you need a font (like 
dejavu) that includes those glyphs.


Aditya
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Re: [NTG-context] Drawing chemical structures

2013-11-21 Thread Alan Braslau
Indeed, there have been a few changes,
several rationalizations of the syntax:

1. FIVE,FRONT has become FIVEFRONT
2. positions are numbered coherently with FIVE
   (previously they were shifted by one)
3. +R and -R have become LR and RR,
   to be coherent with the non-front structures.
4. Thus, +LSR and -RSR are the asymmetrically shortened
   versions drawing bonds.
5. One can still use dimensional measurements in the thousands,
   but it is preferable to use numbers close to unity, interpreted
   in units of the bond length.
6. The bounding box is by default fit (in ppchtex it was fixed
   4000x4000). Placing labels thus generally requires specifying
   a top or bottom dimension.

Below is your example, corrected.
(For some reason, unicode \alpha currently disappears - a font issue.
This worked early so is indeed a bug.)

A complete new manual has been written. We are currently hung on one or
two minor details that Hans and myself have not yet take care of - just
a question of getting around to it. Indeed, we NEED to release the new
manual...

Alan


\setupbodyfont[11pt]
\starttext

\startchemical[bottom=1.75,size=big,frame=on]
\bottext{\alpha-Glycerophosphate}
\chemical[ONE,SB1357,Z0357][\TL{\alpha}{C},\SL{OPO\lohi{3}{2-}},H,H]
\chemical[MOV1,SB137,Z037][C,\SL{OH},H]
\chemical[MOV1,SB137,Z0137][C,H,\SL{OH},H]
\stopchemical

\definechemical[desoxyribose]
{\chemical[FIVEFRONT,BB123,+SB4,-SB5,Z5][O]
\chemical[FIVEFRONT,+LSR1234,LRZ1234][OH,H,H,\SR{HOH_2C}]
\chemical[FIVEFRONT,+RSR1234,RRZ1234][H,H,OH,H]}

\startchemical[width=3.5,bottom=2,frame=on,axis=on]
\chemical[desoxyribose]
\bottext{Desoxiribosa (dR)}
\stopchemical

\startchemical[width=4,bottom=2,frame=on]
\bottext{$\alpha$-D-Fructofuranose}
\chemical[FIVEFRONT,BB123,+SB4,-SB5,Z5][O]
\chemical[FIVEFRONT,+LSR1234,LRZ1234][CH_2OH,\SR{HO},H,\SR{HOH_2C}]
\chemical[FIVEFRONT,-RSR123,RRZ123][OH,H,\SR{HO},H]
\stopchemical

\startchemical[frame=on]
\chemical [FIVEFRONT,B,+LSR,+RSR]
\chemical [LRZ1..5] [1,2,3,4,5]
\chemical [RRZ1..5] [a,b,c,d,e]
\stopchemical

\stoptext





On Thu, 21 Nov 2013 18:10:45 +
DesdeChaves desdecha...@gmail.com wrote:

 Dear Sirs,
 
 I'm trying to run some code from the ppchtex manual, however, the
 chemical structures are not correctly drawn. See the example:
 https://www.dropbox.com/s/w7v8kouc4glndf0/chemicerror.pdf.
 
 I found this problem en Minimals (last version) and on TexLive 2013.
 
 
 \setupbodyfont[11pt]
 \usemodule[chemic]
 \starttext
 
 
 \startchemical[width=fit,scale=small,size=big]
 \bottext{α-Glycerophosphate}
 \chemical[ONE,SB1357,Z0357][\TL{α}{C},\SL{OPO\lohi{3}{2-}},H,H]
 \chemical[MOV1,SB137,Z037][C,\SL{OH},H]
 \chemical[MOV1,SB137,Z0137][C,H,\SL{OH},H]
 \stopchemical
 
 
 
 \definechemical[desoxyribose]
 {\chemical[FIVE,FRONT,BB125,+SB3,-SB4,Z4][O]
 \chemical[FIVE,FRONT,+R1235,+RZ1235][H,H,\SR{HOH_2C},OH]
 \chemical[FIVE,FRONT,-R1235,-RZ1235][H,OH,H,H]}
 
 \startchemical[height=6500,top=2000,bottom=2500,width=4500]
 \chemical[desoxyribose]
 \bottext{Desoxiribosa (dR)}
 \stopchemical
 
 \startchemical[height=4500,bottom=2500]
 \bottext{$\alpha$-D-Fructofuranose}
 \chemical
 [FIVE,FRONT,BB125,+SB3,-SB4,Z4][O]
 \chemical
 [FIVE,FRONT,+R1235,+RZ1235][\SR{HO},H,\SR{HOH_2C},CH_2OH]
 \chemical
 [FIVE,FRONT,-R1235,-RZ1235][OH,H,\SR{HO},H,CH_2OH]
 \stopchemical
 
 \startchemical[height=4500,bottom=2500]
 \chemical [FIVE,FRONT,B,R]
 \chemical [+RZ1..5] [1,2,3,4,5]
 \chemical [-RZ1..5] [a,b,c,d,e]
 \stopchemical
 
 
 
 \stoptext


-- 
Alan Braslau
CEA DSM-IRAMIS-SPEC
CNRS URA 2464
Orme des Merisiers
91191 Gif-sur-Yvette cedex FRANCE
tel: +33 1 69 08 73 15
fax: +33 1 69 08 87 86
mailto:alan.bras...@cea.fr
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Re: [NTG-context] Drawing chemical structures

2013-11-21 Thread Alan Braslau
Hello,

We have completely rewritten the chemical macros from ppchtex, taking
some liberty with some details of the syntax. I will look into your
examples to see what is going wrong.

Alan


On Thu, 21 Nov 2013 18:10:45 +
DesdeChaves desdecha...@gmail.com wrote:

 Dear Sirs,
 
 I'm trying to run some code from the ppchtex manual, however, the
 chemical structures are not correctly drawn. See the example:
 https://www.dropbox.com/s/w7v8kouc4glndf0/chemicerror.pdf.
 
 I found this problem en Minimals (last version) and on TexLive 2013.
 
 
 \setupbodyfont[11pt]
 \usemodule[chemic]
 \starttext
 
 
 \startchemical[width=fit,scale=small,size=big]
 \bottext{α-Glycerophosphate}
 \chemical[ONE,SB1357,Z0357][\TL{α}{C},\SL{OPO\lohi{3}{2-}},H,H]
 \chemical[MOV1,SB137,Z037][C,\SL{OH},H]
 \chemical[MOV1,SB137,Z0137][C,H,\SL{OH},H]
 \stopchemical
 
 
 
 \definechemical[desoxyribose]
 {\chemical[FIVE,FRONT,BB125,+SB3,-SB4,Z4][O]
 \chemical[FIVE,FRONT,+R1235,+RZ1235][H,H,\SR{HOH_2C},OH]
 \chemical[FIVE,FRONT,-R1235,-RZ1235][H,OH,H,H]}
 
 \startchemical[height=6500,top=2000,bottom=2500,width=4500]
 \chemical[desoxyribose]
 \bottext{Desoxiribosa (dR)}
 \stopchemical
 
 \startchemical[height=4500,bottom=2500]
 \bottext{$\alpha$-D-Fructofuranose}
 \chemical
 [FIVE,FRONT,BB125,+SB3,-SB4,Z4][O]
 \chemical
 [FIVE,FRONT,+R1235,+RZ1235][\SR{HO},H,\SR{HOH_2C},CH_2OH]
 \chemical
 [FIVE,FRONT,-R1235,-RZ1235][OH,H,\SR{HO},H,CH_2OH]
 \stopchemical
 
 \startchemical[height=4500,bottom=2500]
 \chemical [FIVE,FRONT,B,R]
 \chemical [+RZ1..5] [1,2,3,4,5]
 \chemical [-RZ1..5] [a,b,c,d,e]
 \stopchemical
 
 
 
 \stoptext
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