VMD-L Mailing List

From: Kooser, Ara S (askoose_at_sandia.gov)
Date: Tue Apr 13 2004 - 16:08:35 CDT

John,
   
   I will send you what I have tomorrow. I have to dig up the files and type
up the notes.

Ara

-----Original Message-----
From: John Stone [mailto:johns_at_ks.uiuc.edu]
Sent: Tuesday, April 13, 2004 3:06 PM
To: Kooser, Ara S
Cc: Lubos Vrbka; vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: file type specification question

Ara,
  Ideally what would help would be a full file format specification, but I
do have a couple of .car files sent to me by Lubos. Normally we want to
have a full file format spec to work from when writing plugins, otherwise we
end up continually update a plugin when users discover new files that don't
work with plugins that were written by reverse-engineering or anecdotal
information on poorly documented file formats. If you've got some info
though, anything is better than what I've got now which is
zilch. :)

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Apr 13, 2004 at 02:04:55PM -0600, Kooser, Ara S wrote:
> John,
>
> Did you need a .car file and a .mdf? And do you need to know what
> information is in each column? I have a small boehmite system in
> .car/.msf file. I can type up a brief note on what each column is.
>
> Ara
>
> -----Original Message-----
> From: John Stone [mailto:johns_at_ks.uiuc.edu]
> Sent: Tuesday, April 13, 2004 1:23 PM
> To: Lubos Vrbka
> Cc: vmd-l_at_ks.uiuc.edu
> Subject: Re: vmd-l: file type specification question
>
>
>
> Lubos,
> Thanks for the example files. I was unable to find .car docs as I
> got lost in the mire of the MSI web site just as you did.
> If anyone else happens to have specs for that file format,
> let us know and we'll see if we can write a plugin for it.
> Even example source code might be helpful if you know of other tools that
> read it.
>
> Thanks,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Fri, Apr 09, 2004 at 04:35:19PM +0200, Lubos Vrbka wrote:
> > hi,
> >
> > >Do you have a URL for any file format specifications for those?
> > >That'd be helpful, we can see how tricky it'd be to write them.
> > i was trying to find something about .car, but i din't find any
> > information - it should be somewhere on msi page (redirected to
> > accelrys and i cannot find the format there)... i attach 2 .car
> > files to this e-mail, it could help you... anyone knows about better
> > source for this format?
> >
> > msi format (quite complicated on the first sight:)):
> > http://www.chem.cmu.edu/courses/09-560/docs/msi/modenv/D_Files.html#94
> > 8951
> >
> > regards,
> >
> > --
> > Lubos
> > _@_"
>
> --
> 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 

-- 
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