cg_openmm.utilities.iotools

Functions

get_positions_from_pdbfile(filename)	Reads the positions from a PDB file.
get_topology_from_pdbfile(filename)	Reads the positions from a PDB file.
read_mm_energies(openmm_data_file)	Read the energies from an OpenMM data file.
read_pdbfile(cgmodel, filename)	Reads the positions and topology from a PDB file.
write_bonds(CGModel, pdb_object)	Writes the bonds from an input CGModel class object to the file object 'pdb_object', using PDB 'CONECT' syntax.
write_pdbfile_without_topology(CGModel, filename)	Writes the positions from an input CGModel class object to the file 'filename'.