VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Nov 05 2020 - 10:49:39 CST

Hi,
  There isn't an existing DLG plugin for VMD, but this seems like
it would be a great thing for someone to write. The AutoDock
pages suggest using "ADT" (autodock tools) to work with these files.
That being said, if you are willing to share complete example file
sets for one of your autodock runs, I would love to collect those
with the hope that we would be able to find someone to look into
developing such a plugin down the road.

Best regards,
  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Nov 05, 2020 at 05:45:19PM +0100, Jeff Saxon wrote:
> Dear VMD users!
> Could you tell me whether there is some vmd's plugin that allows me to
> read directly DLG filles (produced by autodock) and make some basic
> operations on the conformational ensembles of the ligand?
> I've tried to load directly DLG files from terminal command line
> vmd *.dlg
> but it recognized it as an attempt to load PDB files and eventually did nothing.
>
> Thank you for your help
> J. 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/