[ccp4bb]: docking to metal in the active site

[Jan Abendroth <Jan.Abendroth@uni-koeln.de>]

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Dear all,
with many apologizes a non-ccp4-question concerning docking.

Due to lack of a good inhibitor I want to dock the substrates in the
active site of my structure. It is suggested that one oxygen and one
hydrogen of an amid bond bind to a metal-ion in the active site. I tried
with autodock but I dont't see a possibility to include the interactions
with the metal-ion.

Do you have suggestions which program to use and which program can
handle the interactions to the metal properly?

Thanks for hints

Cheers
Jan
-- 
------------------------------
Jan Abendroth
Institut fuer Biochemie
Universitaet Koeln
Zuelpicher Strasse 47
D-50674 Koeln

Tel: +49-(0)221 470 6455 (Labor)
                    6445 (Buero)
Fax: +49-(0)221 470 5092