[Dock-fans] Segmentation fault while setting "no" to "automated_matching" option(DOCK_5.3.0)

Terry Lang terry at cgl.ucsf.edu
Mon Nov 14 17:20:21 PST 2005

Dear Shen-Hung,

       WAIT, I was wrong; DOCK does crash with manual matching 
(regardless of ranking).  I will look into the problem.  In the 
meantime, is there a reason why you are using manual matching instead of 
automatic?  In most cases, automatic matching works better.


Terry Lang wrote:

> Dear Shen-Hung,
> The manual matching option works fine in the demo. Are you trying to 
> rank the compounds as well? There is a known bug if you have ranking 
> turned on. The fix is posted at 
> http://dock.compbio.ucsf.edu/DOCK_5/DOCK_bugfixes.htm. If you are 
> still having problems, please send me your input files and I will take 
> a closer look.
> Sincerely,
> Terry
> Sheng-Hung Wang wrote:
>> Hi,
>> I got segmentation fault while setting "no" to "automated_matching"
>> option(DOCK_5.3.0).
>> Is this a bug or is there any other option that I should set together?
>> Thanks in advance.
>> Sheng-Hung
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P. Therese Lang
Kuntz and James Labs
UCSF--Chemistry and Chemical Biology
Phone: (415)476-3986


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