VMD-L Mailing List

From: Kooser, Ara S (askoose_at_sandia.gov)
Date: Fri Apr 09 2004 - 10:37:32 CDT

-----Original Message-----
From: Kooser, Ara S
Sent: Friday, April 09, 2004 9:28 AM
To: 'shnek_at_tiscali.cz'
Subject: RE: vmd-l: file type specification question

Lubos,

   I have been dealing with a similar problem. There is a conversion program
that takes .car format and the other file generated with it and coverts them
to xyz coordinates. The file comes bundled with the md code LAMMPS. The
problem is that you have to write a script that pulls out the xyz
coordinates and then writes them to a .xyz the VMD can read. I will have to
read the license to see if I can send you the code.

Ara Kooser

-----Original Message-----
From: Lubos Vrbka [mailto:shnek_at_tiscali.cz]
Sent: Friday, April 09, 2004 8:35 AM
To: John Stone
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: file type specification question

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#948951

regards, 

-- 
Lubos
_@_"