pyqmmm.md.residue_lister

Get a list of all residues in a PDB for the supplemental information.

Functions

extract_residue_names(filename)	Extract residue names and their indices from a PDB file.
list_residues()	Parses all the residues in the PDB and returns them as a single list.
write_residues_to_file(residues[, ...])	Write the extracted residues to a file, one residue per line.