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Projects in Awesome Lists tagged with 3d-coordinate

A curated list of projects in awesome lists tagged with 3d-coordinate .

https://github.com/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.

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

Last synced: 05 Dec 2024