Dear sir,
To generate a model containing Hydrogen atoms, is it necessary that templates should have Hydrogen atoms too or these will be modeled by MODELER itself?
Thanking you,
sincerely,
Vivek Sharma
On Tue, Nov 23, 2004 at 04:24:55PM +0200, vivek sharma wrote: > To generate a model containing Hydrogen atoms, is it necessary that > templates should have Hydrogen atoms too or these will be modeled by > MODELER itself?
No, the templates do not need to have hydrogen atoms. See the examples/all-hydrogens directory in the Modeller distribution for an example of building such a model.
Bear in mind that while Modeller will construct hydrogen atoms for you, their position is determined solely by the parameter files; no homology-derived restraints are used.
Ben Webb, Modeller Caretaker
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vivek sharma