GitHub / radi0sus / xyzalign

Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/radi0sus%2Fxyzalign

Topics: 3d-coordinate, align, computational-chemistry, coordinates, coordination-chemistry, dft, inorganic-chemistry, molecule, molecules, orca, orca-quantum-chemistry, orientation, rotate, rotation, rotation-matrix, translate, translation, xyz, xyz-files, xyz-reader

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