Entering edit mode
29 days ago
udakshi
•
0
Hi All,
I am very new to BioPython. I am trying to change occupancy value in my PDB for certain alternate conformations.
Unfortunately, the set_occupancy in PDB.Atom module does not work on alternate conformations other than A.
structure = PDBParser().get_structure('x', 'test.pdb')
if atom.get_occupancy() < 1.0:
if atom.get_altloc() == 'A':
print('before :', atom.get_occupancy())
atom.set_occupancy(1.0)
print('after :', atom.get_occupancy())
else:
k.set_occupancy(0.0)