[Dock-fans] segmentation fault

Bartosz Siemiński sieminb at yahoo.pl
Wed Jun 22 03:58:20 PDT 2011


Hi all.Seems like I need your help. I wanted to re-dock ligands from different runs of DOCK Blaster, using DOCK6.4. I got my results for one set of 50 molecules. For another (using the same parameters), I got "segmentation fault" error. I noticed, that only some of those molecules were causing this problem, so I successfully docked the rest. For those "problematic" ones I adjusted many parameters trying to dock them anyway: grid size/spacing, enlarging sphere cluster, min_anchor_size, max_ligand_orientation, etc. I scouted dock-fans archive, found that contact score might be the problem, got rid of this scoring method - it didn't help.I even made same tests on a different linux distribution just to make sure it's not the case (latest Ubuntu and Fedora releases).

Please tell me whats the possible/probable cause of this error (even if there are many).
Thanks in advance,
Bartosz Siemiński
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