Re: AMBER: Creating an input file for GRASP using AMBER 8

From: FyD <>
Date: Mon, 7 Feb 2005 23:45:05 +0100

> 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.

Save the PDB file without hydrogens (using insightII since you have insightII).
xleap will automatically add the missing hydrogens based on the residue name.

  F.-Y. Dupradeau
DMAG EA 3901 & Faculte de Pharmacie, Amiens, France
The Scripps Research Institute, La Jolla, CA, USA
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Received on Mon Feb 07 2005 - 22:53:00 PST
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