ADL: Mg-Ion in Receptor

Gavin Seddon home at gavsed.net
Wed Apr 8 04:04:31 PDT 2009


katrin at bph.rub.de wrote:
> Hallo,
>
> I´m usíng AutoDock for a few weeks now, and I hope that you could help me
> to solve some problems.
> I would like to dock a ligand into an receptor,where an Mg2+ Ion is
> contained.
> Everytime I want to prepare my receptor, to add hydrogens (...) with
> prepare_receptor4.py I get an error like:
>
>   raise AttributeError('member %s not found'%member)
> AttributeError: member autodock_element not found
>
> Could you help me, how to solve these problem?
> Thanks,
> Katrin
> ________________________________________________
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>
>   
try protonating with pybabel and remove your protonation  arguments


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