proteindf_bridge.utils module

class proteindf_bridge.utils.Utils[source]

Bases: object

classmethod get_sequential_residue_id(protein, req_chain_id, req_res_id)[source]

Returns the amino acid residue number of the entire sequence.

Parameters:

  • protein (AtomGroup) – AtomGroup representing a protein

  • req_chain_id (str) – chain id

  • req_res_id (str) – residue id

Returns:

Return serial number of the amino acid residue. If it does not apply, 0 is returned.

Return type:

int

classmethod remove_WAT(atomgroup)[source]

remove water(WAT or HOH) residues