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HAR

Author: OlexSys Ltd/23 November 2017/Categories: Software, 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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What's New

HAR

.picColor{ width:240px; height:189px; background: url(/Portals/84/Content/Images/epoxide_HAR_IAMscale_240.png?ver=2017-11-25-051343-677) no-repeat; border:1px solid...
23 November 2017/Author: OlexSys Ltd/Number of views (93)/Comments (0)/
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