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Author: OlexSys Ltd/22 August 2013/Categories: Documentation

If you use olex2.refine and use the BOND $H instruction, you will see numerous CheckCIF C alerts of this type: PLAT732 Olex2.refine calculates the e.s.d. values correctly, but since CheckCIF doesn't have access (or at least doesn't make use of) the variance-covariance matrix, this ALERT is generated, and the official CheckCIF documentation (see the image above) agrees with us: CheckCIF doesn't know as much about these s.u. values as olex2.refine does. In other words: This ALERT is nothing to worry about, and if you run into a referee that complains about this, please send that person this link:

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The latest version of ShelXL is fully supported by Olex2. 

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What's New

Olex2 Workshop at the IUCr in Prague 2020

Olex2 Workshop at the IUCr in Prague 2020

This workshop has now been postponed to the IUCr in 2021 There will be an official Olex2 Workshop at the start of this year's IUCr on Saturday, 22nd August in Prague. Registration now...
10 February 2020/Author: OlexSys Ltd/Number of views (1033)/Comments (0)/

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