VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Fri Apr 25 2003 - 16:02:00 CDT

Hi,
  Unless you are a glutton for punishment, I'd reccommend
avoiding writing your own DCD file code. :)
Instead, I'd recommend using either a sequence of PDB files,
a multi-structure PDB file, or some other easy-to-write ASCII-based
file format. DCD files are Fortran-formatted binary files that
are not endian-independent. The only documentation for DCD files would
be found in the old X-PLOR manual, or with Charmm, since those
programs seem to have originated the format.

If you need help loading a bunch of PDB files (which are not "easy"
to format correctly, but much easier than a binary DCD file) check out
this script:
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/animatepdbs/

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Fri, Apr 25, 2003 at 04:50:23PM -0400, Changbong Hyeon wrote:
> I have a set of coordinates.
> I think I can make a movie if I organize my raw coordinates in such a way
> that DCD file is organized.
> Does anybody know how DCD file is organized?
> Thank you for your help.
>
> Changbong Hyeon 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
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