moleculekit.rcsb module#
- moleculekit.rcsb.rcsbFindLigands(pdbid)#
Find the ligands present in a PDB entry.
Scrapes the RCSB PDB entry page for its table of ligands and returns their residue names.
- Parameters:
pdbid (
str) – The 4-letter PDB code to look up.- Returns:
ligands – The residue names of the ligands found in the entry (e.g.
['SO4', 'GOL']). Empty if no ligands are found.- Return type:
Examples
>>> rcsbFindLigands('3onq') ['SO4', 'GOL']
- moleculekit.rcsb.rcsbFindMutatedResidues(pdbid)#
Find the modified/mutated residues of a PDB entry.
Scrapes the RCSB PDB entry page for its table of modified residues and maps each non-standard residue name to the standard residue it derives from.
- Parameters:
pdbid (
str) – The 4-letter PDB code to look up.- Returns:
tomutate – A mapping from each modified residue name to its parent standard residue name (e.g.
{'MSE': 'MET'}). Empty if no modified residues are found.- Return type:
Examples
>>> rcsbFindMutatedResidues('3onq') {'MSE': 'MET'}