VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Sep 26 2005 - 18:20:28 CDT

Hi,
  Do you have example molecule data files that you can send me?
In order to do much I'll need some example molecules, preferably
the full size models that you typically work with. From there I
can make a decision as to whether it's practical to do this purely
with Tcl scripts or if it would require something more substantial.

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Sep 26, 2005 at 08:56:53PM +0800, Jen-Chang Chen wrote:
> Dear John,
> Thank you very much for your kind help.
> Let me list my information.
> In ceramics or mineralogy field, we usually demonstrate the crystal data
> in polyhedral style.
> For example, SiO4 and AlO4 is the tetrahedra and AlO6 is the octrahedra.
> Enclosed are the simple representations for the shapes.
> If you need more information, I will send it to you ASAP.
> Best regards,
> James
>
> John Stone wrote:
>
> >Hi,
> > Anything is possible if we have enough information in the loaded structure
> >to build such a representation. If you can email me more information about
> >what you have in mind, I'll take a look at it and let you know what I'd
> >need
> >to implement such a feature. It's possible this could be done with a
> >plugin
> >even with existing versions of VMD, but I'll know better once you tell me
> >more about the specific requirements you have in mind.
> >
> > John Stone
> > vmd_at_ks.uiuc.edu
> >
> >On Wed, Sep 14, 2005 at 04:58:30PM +0800, Jen-Chang Chen wrote:
> >
> >
> >>Hi all,
> >>I study MD simulation on ceramics and minerals. I always utilize VMD to
> >>show my work. It's a very fantastic visualization tool.
> >>Because of studying minerals and ceramics, polyhedral representation of
> >>a crystal structure, e.g. tetrahedra or octahedra, is probably clearer
> >>than other representation method. Would it be possible to create a
> >>drawing method for the polyhedral representation?
> >>Thank you very much.
> >>Cheers,
> >>James
> >>
> >>
> >
> >
> >
> 

-- 
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