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Eric,<br>
<br>
I'm sorry it is slow, or slower than you expect. I'm sure
technically it can run up to 10 seconds max per largest structure in
PDB, as advertised in <br>
<br>
<a class="moz-txt-link-freetext" href="http://journals.iucr.org/d/issues/2013/04/00/dz5273/dz5273.pdf">http://journals.iucr.org/d/issues/2013/04/00/dz5273/dz5273.pdf</a><br>
<br>
if corresponding code is appropriately refactored (making most use
of above paper); plus time taken by phenix.molprobity. <br>
<br>
Unfortunately, I'm away till October 26, and then will be at the
workshop till November 6th. <br>
<br>
Others from the team (Dorothee, Oleg, Nigel, Billy, Vincent, Chris?)
are encouraged to feel free to volunteer to address obvious runtime
bottlenecks in this code.<br>
<br>
All the best,<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 10/15/17 04:35, Eric Williams wrote:<br>
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cite="mid:CANZF9CVzUCb-6utHeBk+D4yJ_XHoS4hq17T=OKh0TdJwyF35eg@mail.gmail.com">
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<div dir="ltr">I'm having a devil of a time getting
model_vs_data to run in a timely fashion. Running the
latest stable Linux build on Ubuntu 14.04 takes on the
order of 3 minutes per structure. That wouldn't be so bad
if I weren't trying to run it on every entry in the PDB.
Is it just a limitation of Python? SFCheck, which I think
is written mostly in FORTRAN, runs in a few seconds. Any
help anyone could offer would be appreciated. Thanks. :)</div>
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<div dir="ltr"><font color="#888888">Eric</font><br>
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