Dear modellers,
I am trying to model a non-heme iron center within a protein. The iron
molecule has 5 ligands (4 nitrogens from His-residues
and a Glu sidechain) and 6 bonds to these ligands have to be considered.
I succeeded with the reproduction of the binding geometry of a single
his or the glu-sidechain by definition of
a his and a glu patch. But trying to introduce all necessary 5 patches
simultaneously, I get the following terminating error message
in the log file:
mkbnds__E> # of bonds/atom wrong; possibly increase maxbat
atom indices in bond: 49 55
their bonds : 3 6
So, six bonds seem to be too many for Fe according to modeller ...?
Can anybody help me with this. I did not find anything about "maxbat" in
the modeller manual.
How can I increase "maxbat" ?
Thanks in advance.
Best regards,
Oliver.
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Oliver Hucke
Institut fuer Physikalische Chemie II
Universitaet Freiburg
Albertstr. 23a
79104 Freiburg
Germany
Tel.: ++49-761-203-6179
Fax : ++49-761-203-6189
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