Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
State-of-the-art ab initio prediction of 1D protein structure annotations
Molecular backbone geometry utilities
Torsion profile calculation and analysis made easy! Get quick access to various methods.
simple ramachandran plots for cif files
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