pyemap.process_data.calculate_residue_depth

pyemap.process_data.calculate_residue_depth(model, aromatic_residues, rd_cutoff)[source]

Returns a list of surface exposed residues as determined by residue depth.

Parameters:

  • filename (str) – Name of pdb file to be analyzed

  • aromatic_residues (list of Bio.PDB.Residue.Residue) – residues included in the analysis

  • rd_cutoff (float) – Cutoff for buried/surface exposed

Returns:

surface_exposed_res – List of residue names corresponding to the surface exposed residues

Return type:

list of str