VMD-L Mailing List

From: Balazs Jojart (jojartb_at_gmail.com)
Date: Sun Sep 04 2011 - 01:41:08 CDT

Hi Chirag,
If you grep only those rows which start with ATOM, then vmd is able to
read it as a pdb file.

grep "ATOM" foo.pdbqt > foo.pdb

HTH,
Balazs

On 09/03/2011 09:57 PM, Chirag Vora wrote:
> This question has already appeared here:
> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/9887.html
>
> but no plugin to read pdbqt has emerged since then (2007).
>
> Please suggest how to save my pdbqt file to mol2 (or pdb format) by
> conserving the partial charges.
>
> --
> Chirag V. Vora <mailto:chiragvora_at_live.com>
> Department of Pharmacoinformatics
> <http://niper.gov.in/depart.htm#Pharmacoinformatics>,
> National Institute of Pharmaceutical Education and Research
> <http://niper.gov.in>
> *Sector 67, S.A.S. Nagar, *
> *Punjab (INDIA) - 160 062, *
> *Phone: +91-9814187740*
> 

-- 
Balazs Jojart, Ph.D.
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