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GitHub topics: xmol

radi0sus/xyz2tab

Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables

Language: Python - Size: 18.1 MB - Last synced at: about 1 month ago - Pushed at: about 1 year ago - Stars: 36 - Forks: 7

Related Keywords
angle 1 best-fit-plane 1 bond 1 coordinates 1 dft-calculations 1 dihedral-angles 1 length 1 molecule-visualization 1 orca 1 orca-quantum-chemistry 1 table 1 tables 1 torsion-angles 1 viewer 1 visualization 1 xmol 1 xyz 1 xyz-files 1 xyz-reader 1 xyz-viewer 1