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patonlab / packages

Package Name Access Summary Updated
pyqrc public A python program to project computed structures along computed normal modes and perform a Quick Reaction Coordinate calculation 2023-06-16
pyxstruct public Scrape Geometric X-ray Data from the Cambridge Structural Database 2023-06-16
goodvibes public Calculates corrections for calculation output files with temperature and haptic corrections 2023-06-16

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