VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Thu Jun 30 2005 - 13:38:44 CDT

Brian,
  I don't have any experience with SDF files personally.
If you're up for it, you could write a VMD plugin to read the SDF file
format. The simpler the file format, the easier it'd be to write a plugin.
If you write a VMD plugin, you wouldn't have to convert, just read...
Let me know if you're interested in doing that.

  John Stone
  vmd_at_ks.uiuc.edu

On Thu, Jun 30, 2005 at 08:54:31AM -0400, Brian Dotson wrote:
> Hi,
>
> I am trying to view a sdf file in VMD. I tried to convert the file
> with Babel, but for some reason Babel didn't recognize the file format.
>
> The sdf file format looks pretty simple, atom positions and bonds. I
> am willing to write some conversion software, but I am not sure what
> file format would work the best to convert the file to.
>
> The molecule contains H, O, and Ti atoms.
>
> Any suggestions would be appreciated.
>
> Thanks,
>
> Brian Dotson 

-- 
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