[MMTK] Visualize a trajectory

Konrad Hinsen hinsen@cnrs-orleans.fr
Thu, 19 Apr 2001 14:45:23 +0200


> Note that I'm still using the DNA strand from MMTK and that I changed the
> name 'bala.nc' to my new traj. name in the dcd_trajectory.py file.Dumping a
> text file from the trajectory one using "ncdump" I can see a
> 'dc5dgdgdcdcdg3\' entry in the description entry. Still missing something!

Indeed, a patch ;-) The problems you have are the proof that I have
never generated a trajectory containing DNA, because it never worked.
Residue names in a trajectory description should always consist of
three letters, but most nucleic acid residue names are shorter.

Fortunately the fixes are simple and already done. This looks like a
good opportunity to release a beta version of the upcoming MMTK 2.2;
especially the new installation procedure (based on the Distutils
package) needs some more testing. I have one more bug to fix though,
so it will be this evening or even tomorrow. Stand by for further
announcements...

Konrad.
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