Re: [modeller_usage] heme moiety of CYP450

[Modeller Caretaker <>]

O'MAHONY, BRIAN wrote:
> I am modelling a cytochrome and want to make a model with the heme
> heteroatoms in the model. I have been superimposing a heme from one
> of the templates but this doesn't work when I go to relax my model. I
> also see that Modeller can model heteroatoms but I cannot find a
> script that works, ie. when I put the command HETATM_IO = 1 or even
> on or zero (can't remember off hand which command is correct.
> Modeller goes ahead and builds models but without the heme moiety.
> Does anyone have a script that works for Modeller v6.3. I've already
> tried the one in the manual.

The advanced example in the Modeller tutorial has a working usage of 
HETATM: see http://salilab.org/modeller/tutorial/advanced.html

	Ben Webb, Modeller Caretaker
--
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