def find_interface_residues_from_pymol_objects() :
loaded_objs = cmd.get_names('objects')
pdb_structures = init_pdb_structures()
#print "read in", len(pdb_structures), "pdb structures"
for i in xrange(len(pdb_structures)):
obj = loaded_objs[i]
pdb = pdb_structures[i]
intres = find_interface_pointing_residue( pdb )
#print "interface res dictionary size", len(intres.keys() )
select_string = ""
for c in intres.keys() :
#print "chain", c, "size", len(intres[c])
for r in intres[c] :
select_string += "("+obj+" and chain " + c + " and res " + r + " ) or "
select_string = select_string[:-4]
#print select_string
selecting.select( obj + "intres", select_string )
def create_interface_selections():
loaded_objs = cmd.get_names("objects")
pdb_structures = init_pdb_structs()
print "read in", len(pdb_structures), "pdb structures"
for i in xrange(len(pdb_structures)):
obj = loaded_objs[i]
pdb = pdb_structures[i]
for j in xrange(len(pdb.chains)):
print "Found chain", pdb.chains[j].chain_name
print "Found", len(pdb.chains), "chains"
intres = find_interface_pointing_residue(pdb)
print "interface res dictionary size", len(intres.keys())
select_string = ""
for c in intres.keys():
print "chain", c, "size", len(intres[c])
for r in intres[c]:
select_string += "(" + obj + " and chain " + c + " and res " + r + " ) or "
select_string = select_string[:-4]
# print select_string
selecting.select(obj + "intres", select_string)