VMD-L Mailing List

From: Chang, Christopher (Christopher_Chang_at_nrel.gov)
Date: Thu Aug 25 2005 - 17:59:55 CDT

Hi John,

   My coordinate files are small enough to work with in card format
without trouble. I was thinking more about larger systems that folks
might work on and analyze with CHARMM, but even then the formatted file
of a single structure is likely to be much smaller than any DCD files
they would work with, I suppose. More to find out if it were already
available under a non-obvious file type designation.

Thanks much,

Chris

> -----Original Message-----
> From: John Stone [mailto:johns_at_ks.uiuc.edu]
> Sent: Thursday, August 25, 2005 4:45 PM
> To: Chang, Christopher
> Cc: vmd-l_at_ks.uiuc.edu
> Subject: Re: vmd-l: Read support for CHARMM binary coordinate file?
>
>
> Hi,
> We haven't written a plugin for the binary CHARMM
> coordinate file format, but that could be done if there's
> enough interest in working with that file format directly.
> How large are the coordinate files you're working with?
>
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Tue, Aug 23, 2005 at 04:28:31PM -0600, Chang, Christopher wrote:
> > Hi,
> >
> > Is there currently a file format corresponding to a CHARMM
> > coordinate file written as unformatted from CHARMM? Not a
> big deal to
> > write them out formatted from CHARMM, but might allow some
> space to be
> > saved on larger systems...
> >
> > Thanks,
> >
> > Chris
> >
> > Christopher H. Chang, Ph.D.
> > Research Associate
> > National Renewable Energy Laboratory
> > 1617 Cole Blvd., Mail Stop 1608
> > Golden, CO 80401
> > Phone (303) 275-3751
> > Fax (303) 275-4007
> >
>
> --
> 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
>