[cctbxbb] differential evolution

Peter Zwart PHZwart at lbl.gov
Tue Jul 13 15:18:17 PDT 2010

Hi Nikolav,

The limits are set only to define the initial sampling of the population.
The optimisation procedure can subsequently move anywhere it likes, which is
handy when the initial bounderies were not chosen properly. If you want to
restrict your search area, i suggested your reparametrise your refineable
variables such that they map from [a,b] to (-infty,+infty)



2010/7/13 Nikolay Mladenov <nikolay.mladenov at gmail.com>

> Hello all,
> Having nothing to do with crystallography, I downloaded cctbx only to use
> the python implementation
> of the differential evaluation.
> I am not knowledgeable about the details of the algorithm so  I have to ask
> this question:
> Is it normal to have population members with coordinates outside of the
> specified limits?
> Thanks and regards,
> Nikolay Mladenov
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P.H. Zwart
Research Scientist
Berkeley Center for Structural Biology
Lawrence Berkeley National Laboratories
1 Cyclotron Road, Berkeley, CA-94703, USA
Cell: 510 289 9246
BCSB:      http://bcsb.als.lbl.gov
PHENIX:   http://www.phenix-online.org
SASTBX:  http://sastbx.als.lbl.gov
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