VMD-L Mailing List

From: Andrew Dalke (dalke_at_mag.com)
Date: Mon Dec 08 1997 - 13:34:06 CST

Eugene asked:
> could you perhaps outline how complex a parser for isolating the
> machine-dependant fields from the dcd can be?

To which Jason Gans <jason_at_perceval.bio.cornell.edu> replied:
> I have written a small program to perform the necessary byte swaping
> operation on a DCD file (it also optionally sets the center of mass of a
> DCD file to zero, so that the molecule is always centered in the VMD
> screen).

Alright! If you want, we could also place a copy of dcd_endian on the
ftp site in the 'contrib' directory so others can try it out.

Eugene also mentioned:
> gOpenMol has also kept quiet about broken trajectory format.

  I saw the announcement for the 1.0 release of gOpenMol, but I didn't
want to fill out the registration form to download a copy of it.
Could you tell me what you thought of it and how it compares to VMD?
(This discussion should probably take place off the mailing list.)

                                                Andrew
                                                dalke_at_mag.com