On Tue, 28 Apr 2015 09:56:02 -0400
Jason Swails <jason.swails.gmail.com> wrote:
> Also, purine is a rather common biological fragment, so I doubt it
> lies outside of the chemical space targeted by antechamber.
But it is not a purine because C5 and N4 are swapped (numbering
according to the OP's pasted PDB file), whatever this is now called.
What that means for the chemistry I do not know.
Cheers,
Hannes.
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Received on Tue Apr 28 2015 - 07:30:03 PDT
