[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Re: [ccp4bb]: putting charges on atoms
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
Hi,
There's a free program called MacroDox which does something like that (PDB
format). You can check out the following URL:
http://pirn.chem.tntech.edu/macrodox.html
Hope that helps. P.S: you will need the really old MIPS fortran compiler
for it to work (Irix 5.3). It doesn't compile on the newer versions (well,
the ones i've tried).
ags
*******************************************************************************
Paul Hubbard
Department of Biochemistry
Medical College of Wisconsin
8701 Watertown Plank Rd.
Milwaukee
Wisconsin. 53226
Tel: 414-456-4305
Fax: 414-456-6510
WWW: http://141.106.40.30
*******************************************************************************
On Thu, 24 Feb 2000, Robert D. Scavetta wrote:
> Date: Thu, 24 Feb 2000 16:21:58 -0700
> From: "Robert D. Scavetta" <robert.scavetta@uchsc.edu>
> To: CCP4 <ccp4bb@dl.ac.uk>, o-info <o-info@kaktus.imsb.au.dk>,
> XPLORE <x-plor@net.bio.net>
> Subject: [ccp4bb]: putting charges on atoms
>
> *** For details on how to be removed from this list visit the ***
> *** CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html ***
>
> Hi,
>
> Sorry that this may not fit this BB.
>
> Is there a program (as always, free) that will put charges onto specific
> atoms in the protein structure file that is in either pdb or sybyl mol2
> format?
>
> Thanks in advance,
>
> Robert
> --
> Robert Scavetta robert.scavetta@uchsc.edu
> Department of Pharmacology, C236
> University of Colorado Health Sciences Center
> 4200 E. 9th Avenue
> Denver, CO 80262
>
> (303) 315-8044
> (303) 315-6464
> (303) 315-7097 fax
>