[Dock-fans] dock5 segfaults where dock4 does not

Terry Lang terry at cgl.ucsf.edu
Tue Nov 8 16:13:40 PST 2005

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.


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?

P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986


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