VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed May 31 2006 - 16:38:03 CDT

Hi,
  The current version of the XYZ plugin for VMD ignores the additional
optional data fields, since it doesn't know what field to load them into.
I've been meaning to add a mechanism for loading such "unknown" fields into
VMD but haven't had time to delve into it and make progress yet.
If you want to, you could modify and recompile the XYZ plugin and hard-code
it to load these extra fields into one of the existing VMD data fields
if you wanted to.

  John Stone
  vmd_at_ks.uiuc.edu

On Fri, May 26, 2006 at 08:57:03AM -0700, Ioana Cozmuta wrote:
> Hi vmd users,
>
> I know that vmd is able to color atoms based on the information
> contained in the beta and occupancy columns. Is there an equivalent way
> to do it for .xyz type of files? Say that besides the atom type and the
> three coordinates there are additional 2 columns. Is vmd set to read
> the information in those and use it to define representations?
>
> Thanks,
> Ioana
>
> --
> Ioana Cozmuta, Ph.D
> Eloret Corporation
> NASA Ames Research Center
> Mail Stop 230-3
> Moffett Field, CA 94035
> phone (650) 604-0993
> e-mail: icozmuta_at_mail.arc.nasa.gov
> http://people.nas.nasa.gov/~ioana/ 

-- 
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