molfile_to_params.py File Reference

Classes
class	molfile_to_params.PreformattedDescFormatter

Namespaces
	molfile_to_params

Functions
def	molfile_to_params.any
def	molfile_to_params.all
def	molfile_to_params.memoize
def	molfile_to_params.mark_fragments
def	molfile_to_params.add_fields_to_atoms
def	molfile_to_params.add_fields_to_bonds
def	molfile_to_params.find_virtual_atoms
def	molfile_to_params.check_bond_count
def	molfile_to_params.check_aromaticity
def	molfile_to_params.check_hydrogens
def	molfile_to_params.assign_rosetta_types
def	molfile_to_params.assign_mm_types
def	molfile_to_params.assign_centroid_types
def	molfile_to_params.setup_amino_acid
def	molfile_to_params.assign_partial_charges
def	molfile_to_params.assign_rotatable_bonds
def	molfile_to_params.assign_rigid_ids
def	molfile_to_params.fragment_ligand
def	molfile_to_params.build_fragment_trees
def	molfile_to_params.assign_internal_coords
def	molfile_to_params.calc_internal_coords
def	molfile_to_params.choose_neighbor_atom
def	molfile_to_params.floyd_warshall
def	molfile_to_params.dijkstra
def	molfile_to_params.write_ligand_kinemage
def	molfile_to_params.write_param_file
def	molfile_to_params.write_ligand_pdb
def	molfile_to_params.write_fragment_mol2
def	molfile_to_params.write_all_files
def	molfile_to_params.main