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Hirshfeld Atom Refinement

Hirshfeld Atom Refinement

Author: OlexSys Ltd/23 November 2017/Categories: News

HARt is a program which performs Hirshfeld Atom Refinements (HAR) within a terminal environment or within the newly implemented HARt interface inside Olex2. HAR is a refinement procedure that applies tailor-made aspherical scattering factors obtained from a theoretically calculated electron density.

Hover the mouse above the HAR electron density map below and what the density looked like in a 'normal' independent atom refinement!

 

The updated version of HAR will be available with the next update of Olex2.
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The latest version of ShelXL is fully supported by Olex2. 

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2nd European Olex2 Meeting

2nd European Olex2 Meeting

Please join us at our 2nd European Meeting on March 14 and 15 2019 in Darmstadt, Germany.

15 January 2019/Author: OlexSys Ltd/Number of views (150)/Comments (0)/
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