On Thu, Apr 24, 2014, Valentina Romano wrote:
>
> When i say 'the ligand lost its planarity' i mean that the molecule
> which is a planar aromatic molecule is not planar anymore after the
> minimization and this is strange.
But you don't say whether the deviation from planarity is large or small.
Small deviations from planarity are very common (e.g. in purines), and are
likely to be found in aromatic rings that are ligands in proteins as well.
>
> I'll try to minimaze the ligand itself without the protein and see what
> appends.
OK...good....dac
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Received on Thu Apr 24 2014 - 05:30:02 PDT
