[phenixbb] Stereochemistry statistics

[Pavel Afonine]

  Hi Mike,

I hope you find answers here and in references inside:

http://cci.lbl.gov/publications/download/iucrcompcomm_aug2004.pdf
http://journals.iucr.org/d/issues/2004/12/01/ba5072/index.html
http://journals.iucr.org/a/issues/1991/06/00/vs0099/vs0099.pdf
http://journals.iucr.org/j/issues/1989/05/00/ms0269/ms0269.pdf

Pavel.


On 1/19/11 5:03 PM, miket at chem.ucla.edu wrote:
> Hi All,
>
> I have a very naive question, but nobody I have asked has been able to give me a confident answer. When phenix calculates the stereochemistry statistics for a model, two of the statistics given are RMS(chirality) and RMS(planarity). What specific measurements are being calculated to produce these statistics, and what are the units for the numbers given? For example, is RMS(planarity) telling me the average distance out of plane for an atom that should be in plane? If this is the case I imagine the units are angstroms?
>
> Thanks for the explanation,
>
> Mike Thompson
>
>
>
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