Hi Bill,
The .pdb file of the protein has a little bit different naming for the
atoms, such as 1HB rather HB2 in GLU, etc. Is there a quick way to make
the .pdb files readible for xleap? Or do we have to do it by hand? Thanks
in advance.
Best,
On Mon, 7 Feb 2005, Bill Ross wrote:
> > I have a .pdb file of a protein which has approximately 1000 residues in
> > it. I want to create an input file for GRASP which has the charge info in
> > it, and was wondering if I can create such an input file using AMBER 8.
>
> You can get the charges into a savepdb pdb file in leap -
> try 'help set' to see what parameter to set before doing
> the savepdb.
>
> Bill
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--
Ilyas Yildirim
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Received on Mon Feb 07 2005 - 22:53:00 PST
