[Blaster-fans] Fwd: Dock Blaster difficulties

John Irwin jir322 at gmail.com
Thu Nov 3 15:44:46 PDT 2011


Hi Chris

Sorry, did not respond to this. My mailbox has been perpetually overflowing.

We have recently made a number of improvements in DOCK Blaster,
including incorporating a Pocket Picker based on work by Coleman and
Sharp.  The beta version is available at http://blaster3.docking.org.

John


On Wed, Apr 28, 2010 at 9:39 AM,  <chris.neale at utoronto.ca> wrote:
> I am Chris Neale, working with Regis Pomes at the University of Toronto,
> Canada. I am new to docking and this seems to be a nice tool to get
> started, but I am having some difficulties.
>
> I have attempted to follow your tutorial, but am unable to find any
> results for poses. My job results are here:
>
> http://blaster.docking.org/cgi-bin/jobwatch.pl?job_id=50883&pin=
>
> The poses and scores page contains no information:
>
> http://blaster.docking.org/results/03/50883/browseprelim.html
>
> I suspect that no poses of sufficiently low energy were found
> (although that surprises me since this was the first test case from
> your tutorial -- PDB 1N46 leaving all options at defaults). If this is
> the case, then I suggest that you put a simple message at the top of
> the output... I'm really new to this and the header line "debug
> n_actives 0 n_inactives 0 n_similar 47 n_decoys 103 nrandom 0
> n_extrema 0" is fairly unintuitive to me.
>
> Finally, the subset 12, tani90%, etc links all lead to an error page.
> In this case, the error message that I received was:
>
> 500 Internal Server Error
>
> Sorry, something has gone wrong.
>
> Please write to support at docking.org explaining what you were doing so
> we can try to fix this problem.
>
> Thank you - we appreciate your help.
>
> ###
>
> Please note that I first sent this to support at docking.org as indicated
> on your website error message (see above), but that this was bounced
> back to me so I also suggest that you modify that error message.
>
> Thank you,
> Chris.
>
>
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