[Dock-fans] dock5 segfaults where dock4 does not

Peter C. Lai sirmoo at cowbert.2y.net
Tue Nov 8 17:12:19 PST 2005


On Tue, Nov 08, 2005 at 04:13:40PM -0800, Terry Lang wrote:
> Dear Peter,
> 
>       We just (literally two minutes ago) posted the fix for this 
> problem.  There is an issue with the way the order some of the 
> parameters are set for the question tree in the current release.  There 
> are two fixes for the ranking issue:  1)  The problem only exists when 
> score_mol_output_override = no.  If you set it to yes, the code will run 
> and the compounds should rank.  2)  There is a bugfix patch you can 
> apply that will fix the problem more effectively at 
> http://dock.compbio.ucsf.edu/DOCK_5/DOCK_bugfixes.htm.   If you are 
> still having problems, please let me know.

Works fine with the score file override. Thanks!

> 
> Sincerely,
> Terry
> 
> 
> Peter C. Lai wrote:
> 
> >Hi dock-fans,
> >
> >I have a problem here with dock5 (5.3). It is segfaulting with multiple
> >ligands with this in the configuration:
> >
> >rank_ligands                                                 yes
> >max_ranked_ligands                                           [500] ():5
> >scored_mol_output_override                                   [no] (yes no):
> >
> >If I don't tell it to rank_ligands, it will dock them just fine but
> >separately. This feature works just fine in Dock4.
> >
> >any clues?
> >Thanks,
> >peter
> >
> > 
> >
> 
> -- 
> P. Therese Lang
> Kuntz and James Labs
> UCSF--Chemistry and Chemical Biology
> Phone: (415)476-3986
> 
> 
> 
> 

-- 
Peter C. Lai
Dept. of Neurobiology
Yale University School of Medicine
http://cowbert.2y.net/




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