ccu.structure¶
Structure analysis functions and utilities.
This subpackage enables determination of orientation axes
(ccu.structure.axisfinder), comparison of structure graphs
(ccu.structure.comparator, ccu.structure.fingerprint),
calculation of closest distance between fragments
(ccu.structure.geometry), structure permutation
(ccu.structure.defects ), and cell resizing
(ccu.structure.resizecell).