VMD-L Mailing List

From: nmichaud_at_jhu.edu
Date: Fri Oct 05 2007 - 07:23:38 CDT

Hi Alessio,

The easiest way (if you know C) is to hack the catdcd code so that it can
print out the DCD header information (there's a call to read_dcdheader in
there somewhere - you can edit this function to print out the information
you want).

Naveen

---------------------------------------------------------------------
Naveen Michaud-Agrawal
Program in Molecular Biophysics
Johns Hopkins University
(410) 614 4435

On Thu, 4 Oct 2007, John Stone wrote:

>
> Hi,
> VMD doesn't presently read the time information from DCD files, so
> it won't be able to help you with this yet. You can determine this
> by writing some code however. In a few weeks I'll have had an opportunity
> to look into adding this to the VMD DCD plugin, and I might be able to
> give you a version that can report these values, as it was something on
> my TODO list already anyway.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Wed, Oct 03, 2007 at 05:44:13AM -0700, Alessio Alexiadis wrote:
> > Hi
> > I'm working with some .dcd files I made long time ago and I lost record of the time step between two consecutive frames. Is there the way to extract this information from the .dcd file and, if yes, which is the unit?
> > Thanks for your help
> >
> > Alessio
> >
> >
> > ---------------------------------
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> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
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> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
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>