is_aromatic function

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  • This topic has 2 replies, 2 voices, and was last updated 10 years ago by Anonymous.
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    • #1771

        Hey All,

        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?

      • #9538

          Do you mean is_aromatic? or is_surface? Because your sample code asks the former. :)

        • #9539

            And that would be the stupid thing I’m doing. Thanks for spotting it.

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