Hi Yolanda, 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 original order.

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. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html

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!