From: case <>
Date: Wed, 22 Dec 2010 13:51:38 -0500

On Wed, Dec 22, 2010, George Tzotzos wrote:

> I'm trying to add H atoms to my ligand (3og.pdb) using reduce.
> I get the following warning and no Hs added.
> *WARNING*: Res "3OG" not in HETATM Connection Database. Hydrogens not added.

This means pretty much exactly what it says: reduce uses a "HETATM" database
to add hydrogens, but 3OG is not in it. You'll have to add hydrogens by some
other method, e.g. in xleap or other graphical program. You might also try
the addhydr command in sleap, but be sure to check the result.


AMBER mailing list
Received on Wed Dec 22 2010 - 11:00:05 PST
Custom Search