Re: CCL:How to change PDB into PDBQ using PyMOL

["Tamas E. Gunda" <tgunda~at~puma.unideb.hu>]

Ankit,
 Among others Mol2Mol can convert to the PDBQ, Rasmol/Chime etc subformats of PDB
 files. Of
 course the starting molecule file should already contain  the atomic charges.
 http://web.interware.hu/frenzy/mol2mol/index.html
 With regards
 Tamas Gunda
 tgunda *AT* puma.unideb.hu
 > > -----Original Message-----
 > > From: Computational Chemistry List
 > > [mailto:chemistry-request~at~ccl.net] On Behalf Of Ankit
 Soni
 > > Sent: Wednesday, June 09, 2004 7:13 PM
 > > To: chemistry~at~ccl.net
 > > Subject: CCL:How to change PDB into PDBQ using PyMOL
 > >
 > > HI CClers:
 > >
 > > Would someone please tell me that is PyMOL capable of
 > > changing PDB file into PDBQ files which can be used by
 > > Autodock3 ,if yes please give the procedure(steps) in detail.
 > >
 > > Thanks for the help and patience..
 > >
 > > Sincerely,
 > >
 > > Ankit Soni
 >
 >
 >
 >
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