[Dock-fans] Segmentation fault when running Dock 5.2, related to sphere file

tsanan at chemistry.ohio-state.edu tsanan at chemistry.ohio-state.edu
Mon Nov 28 13:37:12 PST 2005


Hello,
I have recently begun to use DOCK 5.2, and at the moment I am encountering a 
rather irritating problem. Specifically, when I attempt to run dock itself 
using one sphere file I have generated, the program runs smoothly and I 
obtain a nice set of docked orientations. When I use a different sphere file 
I have generated (which has more spheres within the cluster, but is 
otherwise identical as far as I can tell), there is a segmentation fault. 
I've implemented bugfix #9, and the sphere file itself has only 1 cluster 
and the proper number of spheres listed on the top. I've attempted to paste 
the text into a new file from Word, in case there were hidden characters, 
but that had no effect. The only other possible issue is that the file 
contains 314 spheres, but I was under the impression that it was only 
recommended to keep the number of spheres below 100 for performance reasons. 

In any event, I can enclose the .sph file if that would assist in diagnosis, 
but I will wait for some response first, in case there may be an obvious 
problem that I'm missing (And to avoid spamming the group on my first post 
message).

Thank you in advance,
Toby Sanan
Graduate Research Assistant
Hadad Research Group
Department of Chemistry
Ohio State University



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