VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu May 18 2006 - 11:42:17 CDT

Hi,
  As far as I know the DLPOLY HISTORY files don't contain chain information
in them. The current version of the DLPOLY plugin for VMD sets the chain
and segname information blank since it doesn't appear to be contained
in the HISTORY files. You'll either need to additionally load a PDB/PSF
or some other structure file that contains this information in order for
VMD to read it in. If there are other DLPOLY file formats we should be
reading which provide this information, please let me know.

  John Stone
  vmd_at_ks.uiuc.edu

On Wed, May 17, 2006 at 06:55:26PM -0400, Javier Sacristan wrote:
> Hi,
>
> I reading HISTORY files from DLPOLY with VMD 1.8.4, but unfortunately
> VMD do not recognize the different chains that are in the file. So I am
> able to select atoms, but not chains. Do you know have any idea how
> could I select chains?
>
>
>
> Last question is there any script to calculate pair distribution
> functions through VMD console available?
>
>
>
> Thanks
>
>
>
> Have a nice day
>
>
>
> Javier
>
>
>
>
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078