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

From: "Tamas E. Gunda" <tgunda~at~puma.unideb.hu>
Date: Thu, 10 Jun 2004 09:03:44 +0200

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
>
>
>
>
> -= This is automatically added to each message by the mailing script =-
> To send e-mail to subscribers of CCL put the string CCL: on your Subject: line
> and send your message to:  CHEMISTRY~at~ccl.net
>
> Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST~at~ccl.net
> HOME Page: http://www.ccl.net   | Jobs Page: http://www.ccl.net/jobs
>
> If your mail is bouncing from CCL.NET domain send it to the maintainer:
> Jan Labanowski,  jlabanow~at~nd.edu (read about it on CCL Home Page)
> -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+
>
>
>
>
>
>