Python 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.
dft overlay molecule computational-chemistry superposition molecules coordinates xyz-reader kabsch-algorithm xyz-files kabsch inorganic-chemistry coordination-chemistry molecule-visualization molecule-viewer
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Updated
May 3, 2024 - Python