Added surface_area.py

src/bept/analysis/surface_area.py

@@ -0,0 +1,26 @@
+from Bio.PDB import PDBParser
+from Bio.PDB.SASA import ShrakeRupley
+
+def get_residues_and_sasa(protein_file):
+    """
+    Parameters
+    ----------
+    protein_file : str
+        The pdb file path(without the .pdb)
+
+    Returns
+    -------
+    SASA : int
+        The solvent accessible surface area
+    """
+    p = PDBParser(QUIET=1)
+    struct = p.get_structure(protein_file, protein_file + ".pdb")
+
+    sr = ShrakeRupley()
+    sr.compute(struct, level="S")
+
+    with open(protein_file + "_surface_resi.txt", "w+") as f:
+        for i in struct.get_residues():
+            f.write(i.get_resname(), i.id[1])
+
+    return round(struct.sasa, 6)