I am working with PDB files in biopython, and I need a quick way to calculate the relative solvent accessibility (RSA) of each residue in a PDB file. Up until now, I have done it this way
from Bio.PDB import * parser = PDBParser() io = PDBIO() structure = parser.get_structure('X', '1fkq.pdb') model = structure dssp = DSSP(model, '1fkq.pdb') residues = list(dssp)
And the residues variable would contain a list of tuples which would contain the RSA. The issue is, according to the documentation https://biopython.org/DIST/docs/api/Bio.PDB.DSSP%27-module.html, the RSA values are by default based off of the Sander values. I want it to compute the RSA based off of the Wilke values. It says in the documentation that any of the values (Wilke, Sander, or Miller) can be used, but I'm not sure how to tell it to use the Wilke values. Does anyone have an idea on how to change this?