> Starting from a pybel.Atom, it seems I have to do
> a.OBAtom.GetResidue().IsHetAtom(a.OBAtom)
Yes, it seems like it's asking for a shortcut. If you're willing to go through
Git, I'm about to push a new method to atom.h which will then propagate through
the SWIG bindings to Python.
bool IsHetAtom() {
if (_residue == NULL)
return false;
else
return _residue->IsHetAtom(this);
}
Thanks for the suggestion,
-Geoff
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