[Dock-fans] Issues with dock6

Chris Fage cdfage at gmail.com
Sun May 8 12:48:12 PDT 2016


Hello,

When I tried to generate spheres within a binding pocket, the pocket was
only sparsely populated. Therefore, I altered the acceptable sphere radius
3.0-0.2. After this, I saw _many_ spheres. Wanting to exclude spheres far
away from a manually placed ligand, I ran the sphere_selector routine.
However, even after overnight, the program still appeared to be running and
had not produced any output.

Trying a different route, I created a subsection of residues lining the
binding pocket, generated new spheres, and skipped the sphere selection
phase. Unfortunately, when I ran dock6 the program crashed with the error:

Segmentation fault (core dumped)

I would be grateful for any insight and am happy to provide more details
upon request.

Cheers,
Chris
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