import sys
from jade.basic.structure import Structure
[docs]def get_overhang_sele(pymol_writer, cdr, overhang =3):
"""
Gets the selection for terminal superposition in PyMol
"""
if not isinstance(cdr, Structure.CDR): sys.exit()
start = cdr.get_pdb_start()
end = cdr.get_pdb_end()
chain = cdr.get_pdb_chain()
start_sele = start - overhang
end_sele = end + overhang
resi = []
resi.append((start_sele, start))
resi.append((end, end_sele))
sele = pymol_writer.get_sele(chain, resi)
print sele
return sele
[docs]def get_all_cdr_sele(cdr, stem = 0):
"""
If any stem residues are given, will include stem residues in selection.
"""
if not isinstance(cdr, Structure.CDR): sys.exit()
#chain L and resid 24-42
sele = " ".join(["chain", cdr.get_pdb_chain(), "and", "resid", str((cdr.get_pdb_start() - stem)) + "-" + str((cdr.get_pdb_end() + int(stem))) ])
print sele
return sele