Empirical Potential Structure Refinement
13 Jul 2009
Yes
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No
 
No
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EPSR addresses the problem of calculating a three-dimensional structure exploiting the information contained in diffraction data.

No
EPSR workshop 2002
 

What is EPSR?

EPSR is a computational technique addressing the problem of calculating a three-dimensional structure exploiting the information contained in diffraction data.

EPSR iterates a direct Monte Carlo simulation of a molecular system, correcting the pair interaction potential between molecules at each stage of the iteration by comparison with the diffraction data sets. (see attached flow diagram to the right of this page)

Download EPSR

To download the latest version of the EPSR software please use this link: www.facebook.com/disord.matt

 

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