Re: Tools: Software for drawing chemical structures?

Subject: Re: Tools: Software for drawing chemical structures?
From: Hodgins Family <ehodgins -at- telusplanet -dot- net>
To: Geoff Hart <ghart -at- videotron -dot- ca>
Date: Wed, 21 Jun 2006 08:04:44 -0600

On Wed, 2006-21-06 at 09:34 -0400, Geoff Hart wrote:
> For an article I'm writing, I need to be able to generate an image of
> the 3D structure of a moderately complex chemical such as a simple
> protein. In fact, a sequence of half a dozen amino acids would more
> than suffice. I don't need to draw any specific molecule(s); I'm just
> trying to illustrate a few different levels of abstraction, starting
> with "realistic" (the 3D molecule) and working my way up the chain of
> abstraction to the base triplets that encode the amino acids. Clip art
> could work, but I'd rather generate the image myself to avoid any
> potential copyright entanglements.
>
> Lots of stuff turns up in Google, but before I spend a few hours
> spelunking and testing, I thought I'd look for personal recommendations
> from people who have actually used the software.
>
> Criteria: I'm looking for something free (I almost certainly won't use
> it again), free of copyright entanglements, easy to use, and able to
> produce a crisp image that would ideally also work in black and white
> or greyscale. System requirements: I'm on a Mac using OS X (Panther,
> not Tiger). A browser-based tool would be fine.
>
> Thanks in advance!


MOLMOL might work for you. A tutorial page is found here:
http://hugin.ethz.ch/wuthrich/software/molmol/man/tutorial_ex1.html

I found it referenced under Molecular Graphics at the following link:
http://www-iphicles.rcsb.org/pdb/software-list.html

On the same page is PyMol which is useful. Some screenshots of it in
action are at: http://pymol.sourceforge.net/pmimag/screen.html

Good luck!

Rob

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Tools: Software for drawing chemical structures?: From: Geoff Hart

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