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This is probably something stupid, but I’m trying to use the is_aromatic function of Residue via python and c++ and everything returns false in a few different poses where aromatics are present.
for i in range(1, p.total_residue()+1):
print p.residue(i).name3() +” “+repr(p.residue(i).is_surface())
I have checked the params files of some aromatic side chains to make sure it is listed in the properties line, and that seems to be fine.
Am I missing some nessessary call to another function?
Do you mean is_aromatic? or is_surface? Because your sample code asks the former.
And that would be the stupid thing I’m doing. Thanks for spotting it.