Empirical Potential Structure Refinement
13 Jul 2009
Yes
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EPSR enables the construction of a three-dimensional structure exploiting the information contained in diffraction data

No

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Overview​​

EPSR is a computational technique addressing the problem of calculating a three-dimensional structure which exploits the information contained in diffraction data. It is based around an atomistic Monte Carlo simulation of a system, correcting the employed pair interaction potentials by comparison with the diffraction data sets.

Download EPSR​

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4) Any raw data and demonstration files that are contained in these downloads are for the express purposes of testing the execution of the software only and cannot be used in any form of publicity or publication without the express permission of the website owners.

5) The User is free to distribute this software and files to Third Parties on the understanding that the same conditions as agreed herein apply equally to such Third Parties.​

EPSR26 (current / latest supported version)

EPSR26distribution-2022-06-06.zip
Main E​PSR26 distribution, including Windows binaries, Java GUI, and source code
EPSR26-Workshop-2024.zip
Worked examples for EPSR26 from the April 2024 Workshop​
EPSR26 Manual 2019-11-27.pdf
EPSR26 user manual

​EPSR25 (previous supported version)

EPSR25-2017-10.zip
​Main EPSR25 distribution, including Windows binaries​
EPSR25 Manual 2017-10.pdf
​EPSR25 user manual


​If you encounter any problems, bugs, or issues using the above software, please contact your instrument scientist​.

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