Python library and a program for the statistical analysis and validation of ADPs (Atom Displacement Parameters)
Project description
ToBvalid is a Python library and a program for the statistical analysis and validation of ADPs (Atom Displacement Parameters).
- This tool is designed for modelling of ADP distribution and their validation on both global and local levels. Main functionalities of ToBvalid include:
Overall statistical analysis of ADP distribution
Parametrisation of ADP distribution (mixture) and validation of the distribution parameters
Search for potential lighter and heavier atoms which may have been modelled wrongly
Validation of ligands
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tobvalid-0.9.7.tar.gz
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tobvalid-0.9.7-py3-none-any.whl
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