CCL: adding hydrogens

From: "Elaine Meng" <meng||cgl.ucsf.edu>
Subject: CCL: adding hydrogens
Date: Thu, 2 Aug 2007 12:38:35 -0400

 Sent to CCL by: "Elaine  Meng" [meng-$-cgl.ucsf.edu]
 Hi Max,
 Many programs add hydrogens, including the one I work on (Chimera,
 http://www.cgl.ucsf.edu/chimera/ ).
 Probably the easiest, however, if you would rather not get a program
 you don't already have is to use the Richardson group's MolProbity
 server:
 http://molprobity.biochem.duke.edu/
 You can upload a file or enter its PDB ID.  Just follow the steps;
 there will be choices of what to do to the structure, including
 adding hydrogens.  The hydrogen addition is high-quality and takes
 local H-bonding patterns into account.
 Best,
 Elaine
 -----
 Elaine C. Meng, Ph.D.                          meng---cgl.ucsf.edu
 UCSF Computer Graphics Lab and Babbitt Lab
 Department of Pharmaceutical Chemistry
 University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html