Welcome to Slow Rotations

This is the documentation for the Slow Rotations project.

Contents

• Getting Started
  • Installation
  • Using slow-rotations for analyzing small molecule torsions
  • Run a pre-made example for small molecules
  • Using slow-rotations for analyzing protein sidechain torsions
  • Run a pre-made example for protein sidechains
• API Reference
  • BadTorsionError
  • LigandTorsionFinder
  • ProteinTorsionFinder
  • TorsionFinder
  • LigandTorsionComparator
  • ProteinTorsionComparator
  • TorsionComparator
  • check_states()
  • check_transitions()
  • check_symmetry()
  • convert_dihedral()
  • get_atom_by_index()
  • map_mols()
  • rd_map_mols()
  • torsions_equivalent()
  • get_atom_type()
  • make_standard_atmname()
  • rename_lig_pdb_atoms()
  • assign_bond_order_from_smiles()
  • get_index_convert()
  • get_mapped_bonds()
  • get_mapped_heavy_atom_indices()
  • get_rotatable_bonds()
  • highlight_dihedral()
  • load_rdmol_from_file()
  • sanitize_rdmol()
  • NoMoleculeError
  • NotImplementedError
  • warn()