Subject: creating pdbs

From: David Smith <[email-masked]>
Date: Wed, 14 Nov 2001 10:45:54 -0500

Hello all,

Does anyone know of a free program (linux/windows) which can create (or
edit) small molecule pdb files.  I've looked at many programs but have
found none.  Thanks for all suggestions.

David Smith

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From: David van der Spoel <[email-masked]>
Date: Wed, 14 Nov 2001 19:07:57 +0100 (CET)

>found none.  Thanks for all suggestions.
There's a webserver that gives you even a minimized conformation if you
just draw the structure

http://davapc1.bioch.dundee.ac.uk/programs/prodrg/prodrg.html

Just paste in something like

H-N-C=O
  |
  H

And you get the correct molecule including missing hydrogens.

Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
[email-masked]	[email-masked]   http://zorn.bmc.uu.se/~spoel
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

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From: "Mark A. Thompson" <[email-masked]>
Date: Wed, 14 Nov 2001 13:35:21 -0800

ArgusLab (http://www.planaria-software.com) runs on Windows and will do
almost everything you want (version 2 does not write pdb files but will read
them; (version 3 will write pdb files)).

Mark Thompson