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Message boards : Number crunching : Errors again.

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P . P . L .
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Message 2547 - Posted: 19 Aug 2015, 6:35:02 UTC

Had 85 tasks go bad so far.

<core_client_version>7.0.27</core_client_version>
<![CDATA[
<message>
process exited with code 1 (0x1, -255)
</message>
<stderr_txt>

Receptor name: MAL13P1_36_3

Ligand name: CHEMBL197837_0


Parse error on line 11 in file "ligand": ATOM syntax incorrect: "Si" is not a valid AutoDock type. Note that AutoDock atom types are case-sensitive.
20:04:03 (11661): called boinc_finish(1)

</stderr_txt>
]]>
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Profile Charles Dennett
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Message 2548 - Posted: 19 Aug 2015, 11:49:37 UTC

Those are to be expected. The process realizes the ligand has an invalid atom right away and aborts processing within a second or two. Still, it would be nice if these could be filtered out before they get distributed.

Charlie
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Ananas
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Message 2549 - Posted: 20 Aug 2015, 5:41:26 UTC - in response to Message 2548.

... Still, it would be nice if these could be filtered out before they get distributed. ...

According to Ben this cannot be done so easily because the ligand files are not in the file system but in the database.

Message boards : Number crunching : Errors again.


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