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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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CAPOW: a standalone program for the calculation of optimal weighting parameters for least-squares crystallographic

Natalie T Johnson1, Holger Ott2, Michael R Probert1

  • 1Chemistry, School of Natural and Environmental Sciences, Newcastle University, Kings Road, Newcastle NE1 7RU, UK.

Journal of Applied Crystallography
|March 7, 2018
PubMed

Keywords:
charge densitymultipolar refinementweighting

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