CCL: adding hydrogens

[lrf2103**columbia.edu]

 Sent to CCL by: lrf2103{=}columbia.edu
 Hi Max,
 There are lots of programs out there to do this, but your choice
 will depend on how accurate you want the positions to be, and how
 user friendly it should be. "Reduce" is a very easy-to-use program,
 available from the Richardson lab at
 http://kinemage.biochem.duke.edu/software/README.reduce.html.
 If you want to get very accurate positions for the rotable
 hydrogens, I did a survey of several of the methods that might help
 you choose (Proteins. 2005 Nov 1;61:296-309). The most accurate
 methods I tested were MCCE and Charmm.
 Best wishes,
 Lucy Forrest
 > Hi all
 > Does anybody know how I can add hydrogens to a system?
 > I've downloaded the pdb file of a enzyme and there aren't
 > hydrogen atoms
 > (for instance the water molecule is formed only by the oxygen).
 > I'd like to saturate my system with the missing hydrogens.
 > Any tips will be very appreciated.
 > thanks a lot
 > MP
 >