VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Sep 03 2011 - 15:53:58 CDT

On Sun, 2011-09-04 at 01:27 +0530, 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).

apparently, nobody needed it desperately enough to write one,
and not a significant number of people have asked for it.

> Please suggest how to save my pdbqt file to mol2 (or pdb format) by
> conserving the partial charges.

you could write such a plugin, for example.

axel

> --
> Chirag V. Vora
> Department of Pharmacoinformatics,
> National Institute of Pharmaceutical Education and Research
> Sector 67, S.A.S. Nagar,
> Punjab (INDIA) - 160 062,
> Phone: +91-9814187740
>
> 

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.