VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jun 18 2003 - 13:43:53 CDT

Dear Shanti,
  While VMD doesn't (yet) directly read DL_POLY files, I know that
various people have done conversions to PDB or XYZ file formats in order
to view their structures in VMD. I'm not presently certain how they did
did, as the version of Babel that I have doesn't do that conversion, but
I suspect that there are utilities for DL_POLY which will convert the
file formats for you. The new version of VMD will read XYZ files
directly, so if you can convert to that format you should be able to
load it with VMD 1.8.1. I'll see if we can get a DL_POLY file reader
plugin written this summer, that may make this process much easier.
If you have any example DL_POLY files you can provide us, that would
make it easier for us to test a DL_POLY file reader plugin.

I'd suggest sending a note to the authors of DL_POLY regarding
file format conversion if nobody else on VMD-L has any suggestions.
I looked in the DL_POLY manual briefly but didn't see any useful tips.

Their home page appears to be here:
  http://www.dl.ac.uk/TCSC/Software/DL_POLY/

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu
 
On Wed, Jun 18, 2003 at 12:37:09PM -0500, Shantipriya Tenneti wrote:
>
> Hello,
>
> I am a new user of VMD.
> I use DL_POLY_2.13 and want to use VMD 1.8.1 as frontend.
>
> It says that VMD requires files in PDB format.
> Did anyone before convert Dl_POLY files into PDB format.
>
> Also, DL_POLY_2.13 has provision to convert dl_poly files into .XYZ form & I dont know how I could do that.
> I read that VMD can convert .XYZ files into PDB files.
>
> I am not sure how I could achieve this.
> Can anyone help me.
>
> Thanks
> Shanti
>
>
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-- 
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