Dear Modeller users !
I am trying to model a protein with a Ca binding site, using 7 well aligned
structural templates. Some of these structures contain a Ca atom in the
homologue position. I read in the documentation that you could introduce
hetero atoms and water using a syntax like ASFDGSFA/--WW--W- , but I could
not get a hand on a concrete example.
Also, if I introduced such a site, would Modeller take the electrostatic
interaction between the Ca and the side chain atoms into account in the
simulated annealing part? Or would it just place the hetero atoms in the
equivalent position?
Thank you very much for any suggestion,
Kind regards,
Karsten
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Karsten Suhre
Information Genomique & Structurale
CNRS
F-13402 Marseille