Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-11-03 Thread Mojca Miklavec
 I'm playing a bit with drawing formulas in metafun, but my question
 is: are there any guidelines about how a nice formula should look like?
 (Yes, I have problems to decide how thick the lines have to be, how to draw
 a triple or a steric bond properly, which size of letters to use). Knuth did
 a marvellous job with drawing math formulae in TeX, there are many books
 about typography, but I've never seen anything about chemistry and I haven't
 found anyone who could answer me this question.

Keith McKay wrote:

 A quick search on Google found this.
 Keith

 http://www.rsc.org/Publishing/ReSourCe/AuthorGuidelines/Illustrations/sect1.
 asp
 http://pubs.acs.org/books/artwork.shtml

(Although a bit late:) thank you very much for the two links above.
The rules don't cover everything, but they represent an important
part. (I didn't have any such list before and data like space between
bonds has to be 18% of bond length are pretty useful and exactly part
of those rules that I was looking for.)

Thanks again,
Mojca
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Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-26 Thread Tobias Hilbricht
Am Dienstag, 25. Oktober 2005 20:56 schrieb Mojca Miklavec:
 Jörg Hagmann wrote:

  I am
  sure PPCHTEX would do a better job.

If PPCHTeX is capable of drawing your formulas. I tried it, and apart from 
complicated notation it can not draw seven rings, and you need work arounds 
for certain bond angles, and there were other things either very complicated 
to code or not at all. There seems to be no big user community of PPCHTeX and 
no development.

 I may be wrong, but I doubt that PPCHTEX would satisfy your needs.
 It's a complicated notation which is not flexible enough

Have a look into the PPCHTEeX-manual and see if it covers all your needs.

 XymTeX is more powerful, but not supported by ConTeXt
and still with very complex notation.

True, and also XyMTeX lacks a lot of possibilities - apart from seven rings 
many bicyclo-compounds are not possible, if I remember right. Additionally, 
it is not possible to colorize bonds and atoms or to make them bold etc. 
(this is possible with PPCHTeX).

Then there is ochem by Ingo Klöckl, perhaps the most powerful chemistry 
solution in terms of possible compounds - but only for LaTeX, and again with 
a very peculiar notation and a steep learning curve. Colorization of bonds 
only with PostScript-editing.

Finally there is streetex by Igor Strokov - again for LaTeX, more powerful in 
terms of possible compounds than PPCHTeX or XyMTeX and much easier (more 
intuitive) to use. However, as with XyMTeX it is not possible to colorize 
bonds and atoms or to make them bold etc.

 I would say that all you need is a better export from Chemdraw

Recent versions of Cambrigde Soft ChemDraw can produce very nice output in 
various formats. Additionally, ChemDraw has the feature IUPAC name to 
structure - this is very handy, and no TeX-solution has that.

Yours sincerely 

Tobias Hilbricht
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Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-26 Thread Jörg Hagmann
Many thanks for all the suggestions on incorporating chemical formula. PPCHEMTEX now looks like something to play with, but not something I will switch to whith a deadline for writing the book coming closer.From the publisher I got an example of the layout (a book they had published), and they have symbols in the inside-margins. The "binding" (gluing?) seems to allow that. It's not pretty, but the book opens flat  on a table.And this might interest or amuse the professionals on this site: half a year ago, I sent in a "test chapter" as a pdf file, accompanied by a tex-file. I expected them (whoever is responsible) to say they wanted it in Word (they had told me that based on the test-chapter, they would prepare a Word-"mask" for me to fill in text and figures), but to my surprise they thought it looked pretty good, and that if I could "do just a few minor changes", they could print it as is - but that they didn't have anybody who "knows TeX". Now of course I'm a bit nervous, not to say afraid, because I'm pretty sure the "minor changes" will be way beyond my capabilities...Cheers, Jörg. Prof. Dr.med. Jörg Hagmann-Zanolari Institute of Biochemistry and Genetics DKBW, University of Basel Mattenstrasse 28 CH-4058 Basel Switzerland Phone +41 (0)61 6953049  ___
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Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-26 Thread Willi Egger

Hi Jörg,

\relax.

We are still here and I believe that on this list is quite some guru's 
knowledge ... to help in this matter


Willi

Jörg Hagmann wrote:

Many thanks for all the suggestions on incorporating chemical formula. 
PPCHEMTEX now looks like something to play with, but not something I 
will switch to whith a deadline for writing the book coming closer.


From the publisher I got an example of the layout (a book they had 
published), and they have symbols in the inside-margins. The binding 
(gluing?) seems to allow that. It's not pretty, but the book opens 
flat  on a table.


And this might interest or amuse the professionals on this site: half 
a year ago, I sent in a test chapter as a pdf file, accompanied by a 
tex-file. I expected them (whoever is responsible) to say they wanted 
it in Word (they had told me that based on the test-chapter, they 
would prepare a Word-mask for me to fill in text and figures), but 
to my surprise they thought it looked pretty good, and that if I could 
do just a few minor changes, they could print it as is - but that 
they didn't have anybody who knows TeX. Now of course I'm a bit 
nervous, not to say afraid, because I'm pretty sure the minor 
changes will be way beyond my capabilities...


Cheers, Jörg.

Prof. Dr.med. Jörg Hagmann-Zanolari

Institute of Biochemistry and Genetics

DKBW, University of Basel

Mattenstrasse 28

CH-4058 Basel

Switzerland

Phone +41 (0)61 6953049




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Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-26 Thread Wolfgang Zillig
Hello,

I absolutely do't have any idea of typesetting formulas but I have a
question on PPCHTeX: is that used in the file eppchtex.pdf which is in
the manuals folder?

Wolfgang

Zitat von Tobias Hilbricht [EMAIL PROTECTED]:

 Am Dienstag, 25. Oktober 2005 20:56 schrieb Mojca Miklavec:
  Jörg Hagmann wrote:
 
   I am
   sure PPCHTEX would do a better job.
 
 If PPCHTeX is capable of drawing your formulas. I tried it, and apart
 from 
 complicated notation it can not draw seven rings, and you need work
 arounds 
 for certain bond angles, and there were other things either very
 complicated 
 to code or not at all. There seems to be no big user community of
 PPCHTeX and 
 no development.
 
  I may be wrong, but I doubt that PPCHTEX would satisfy your needs.
  It's a complicated notation which is not flexible enough
 
 Have a look into the PPCHTEeX-manual and see if it covers all your
 needs.
 
  XymTeX is more powerful, but not supported by ConTeXt
 and still with very complex notation.
 
 True, and also XyMTeX lacks a lot of possibilities - apart from seven
 rings 
 many bicyclo-compounds are not possible, if I remember right.
 Additionally, 
 it is not possible to colorize bonds and atoms or to make them bold
 etc. 
 (this is possible with PPCHTeX).
 
 Then there is ochem by Ingo Klöckl, perhaps the most powerful
 chemistry 
 solution in terms of possible compounds - but only for LaTeX, and
 again with 
 a very peculiar notation and a steep learning curve. Colorization of
 bonds 
 only with PostScript-editing.
 
 Finally there is streetex by Igor Strokov - again for LaTeX, more
 powerful in 
 terms of possible compounds than PPCHTeX or XyMTeX and much easier
 (more 
 intuitive) to use. However, as with XyMTeX it is not possible to
 colorize 
 bonds and atoms or to make them bold etc.
 
  I would say that all you need is a better export from Chemdraw
 
 Recent versions of Cambrigde Soft ChemDraw can produce very nice
 output in 
 various formats. Additionally, ChemDraw has the feature IUPAC name to
 
 structure - this is very handy, and no TeX-solution has that.
 
 Yours sincerely 
 
 Tobias Hilbricht
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Re: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-26 Thread Tobias Hilbricht
Am Mittwoch, 26. Oktober 2005 20:23 schrieb Wolfgang Zillig:
 Hello,

 I absolutely do't have any idea of typesetting formulas but I have a
 question on PPCHTeX: is that used in the file eppchtex.pdf which is in
 the manuals folder?

I am not the author of eppchtex.pdf, but that is PPCHTeX, yes.

Yours sincerely

Tobias Hilbricht
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RE: [NTG-context] TeX chemistry (was: alignment of figures)

2005-10-25 Thread Keith McKay
A quick search on Google found this.  
Keith

http://www.rsc.org/Publishing/ReSourCe/AuthorGuidelines/Illustrations/sect1.
asp
http://pubs.acs.org/books/artwork.shtml

-Original Message-
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On
Behalf Of Mojca Miklavec
Sent: 25 October 2005 19:57
To: mailing list for ConTeXt users
Subject: [NTG-context] TeX  chemistry (was: alignment of figures)


Jörg Hagmann wrote:

 I use Chemdraw, save as .pict and finish it in Illustrator. I will 
 eventually look into PPCHTEX, but at the moment struggling with 
 ConTEXt is all I can do. There is a problem with my method: the 
 formula saved as .pict look awful (bonds shifted, atoms not aligned
 etc.) and I have to correct everything by hand in Illustrator. I am 
 sure PPCHTEX would do a better job. On the other hand, if I switch the 
 formulae should look the same (bondlength, thickness, font etc.) as 
 the ones I already did (and don't want to do again). I suppose that's 
 feasable?

I may be wrong, but I doubt that PPCHTEX would satisfy your needs. It's a
complicated notation which is not flexible enough (I gave up since there
were quite some cases for which I wasn't able to draw what I wanted to.)
XymTeX is more powerful, but not supported by ConTeXt (although you can
still draw single formulas in LaTeX and import them into ConTeXt as
pictures) and still with very complex notation.

(I would say that all you need is a better export from Chemdraw, but as this
is a proprietary software I doubt that there are any specifications how to
write an exporting module. Please correct me if I'm wrong. I wish I were.)

I'm playing a bit with drawing formulas in metafun, but my question
is: are there any guidelines about how a nice formula should look like?
(Yes, I have problems to decide how thick the lines have to be, how to draw
a triple or a steric bond properly, which size of letters to use). Knuth did
a marvellous job with drawing math formulae in TeX, there are many books
about typography, but I've never seen anything about chemistry and I haven't
found anyone who could answer me this question.

Mojca
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