ADL: P atoms

Gyanendra Kumar gyan at mbu.iisc.ernet.in
Mon Jan 30 00:09:57 PST 2006


Hi Swarna,
I think, for receptor, the allowed atoms are CHOSMX, where M is for metal
and X for any other atom. try changing your P to X.
My proteins include cofactors like NAD or NADP. And I make it work by
changing P to X and I am able to reproduce co-crystalized
protein-cofactor-inhibitor complexes.

-gyan.


> Hi
> I am using 1.3alpha2 version of ADT...My macromolecule consists of protein
> and
> membrane. which contains P atom. It gives an error  saying unusal atom
> type
> P. Does it mean that it is not capable of handling P? can anyne sugggest
> what
> needs to be done?
> thanks
> swarna
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----------------------------
Gyanendra Kumar
Prof. A. Surolia's Lab,
Molecular Biophysics Unit,
Indian Institute of Science,
Bangalore 560012.
Phone: 91-80-2293-3370
-----------------------------
Residence:
2-S-97, New Hostel Block,
Indian Institute of Science,
Bangalore 560012.
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