Hi all,
I’m creating protein structure from scratch (python using conda openbabel) I
cant figure out what is the correct procedure how to set atom occupancy
correctly. From The C++ PDB parser I extracted code the following:
from openbabel import OBPairFloatingPoint
def _set_ob_occupancy(occupancy, atom):
fp = OBPairFloatingPoint()
fp.SetAttribute('_atom_site_occupancy')
fp.SetValue(occupancy)
fp.SetOrigin('mmcif')
atom.SetData(fp)
The problem is that when I try to run the code, I’m getting ImportError:
cannot import name 'OBPairFloatingPoint'. So not sure, If OBPairFloatingPoint
is a part of different namespace or I got it wrong completely.
My setup is following:
Open Babel version 2.4.1
Python: 3.6.6
Conda version: 4.5.8
Mac OS: 10.13.6
Thank you for your help,
Lukas
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