A class containing methods to find interfaces in a given crystallographic Structure by reconstructing the crystal lattice through application of symmetry operators
A crystal cell's parameters.
Representation of a transformation in a crystal: - a transformation id (each of the transformations in a space group, 0 to m) - a crystal translation The transformation matrix in crystal basis is stored, representing the basic transformation together with the crystal translation.
A crystallographic space group.
A class containing static methods to parse the symop.lib file from the CCP4 package.
A class to contain the BoundingBoxes of all polymeric molecules in a full unit cell.
An enum to represent the 7 Bravais lattices
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