[Chimera-users] Suggestion re Docking Results

Philip Crawford p.crawford at unsw.edu.au
Thu Sep 1 22:53:40 PDT 2005

Hi. I like Chimera and hit a limit yesterday. (Windows version.)
We are running DOCK using the ZINC databases, which produces very large
output_scored.mol2 files. I tried using Chimera to open and sort one of
these. After an hour, I killed Chimera. John Irwin suggested (via the
Dock-fans list) that I recommend you set a limit on the size of output file
to be opened. An alternative may be to set a limit on the number of records
which will be read, regardless of file size.
Thanks for a useful product.
Philip Crawford
Philip Crawford, B. Comp. Sc., MIEEE
Structural BioInformatics and Drug Design Group
School of Medical Sciences
The University of NSW
Phone: +61-2-9385 2564
Mobile: +61-419-294 698
Fax: +61-2-9385 1059
Email:  <mailto:p.crawford at unsw.edu.au> p.crawford at unsw.edu.au
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