[Chimera-users] Can I re-save the mol2 file of compounds sorted by grid score?
meng at cgl.ucsf.edu
Tue Apr 29 21:08:42 PDT 2008
Sorry, when you save a mol2 file from ViewDock, the compounds will
still be in the same order as in the original file, no matter how
they have been sorted. "File.. Rewrite" in the ViewDock menu writes
a mol2 file omitting any compounds that have been changed to the
"purged" status, but the ones that remain will still be in their
If you save a Chimera session while using ViewDock, however, the
sorting order in the ViewDock dialog will be remembered and restored
when the session is restored.
Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Apr 29, 2008, at 6:43 PM, Äî Áõ wrote:
> Hi there,
> I'm a novice in Chimera. I have done the ViewDock tutorial, but now
> I have a question. I know, in the ViewDock, the listing can be
> sorted by any column(e.g. Grid Score). And I expect to know if I
> could re-save the mol2 file of the compounds sorted by grid score.
> Any answer would be appreciated!
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