From owner-chemistry@ccl.net Thu Aug 2 14:35:00 2007 From: "Sergio Emanuel Galembeck segalemb_._usp.br" To: CCL Subject: CCL: adding hydrogens Message-Id: <-34857-070802125401-8323-FHIwgotlDKAzjE/ATwZh2Q|-|server.ccl.net> X-Original-From: Sergio Emanuel Galembeck Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; DelSp="Yes"; format="flowed" Date: Thu, 02 Aug 2007 12:53:48 -0300 MIME-Version: 1.0 Sent to CCL by: Sergio Emanuel Galembeck [segalemb]-[usp.br] Dear Max, There several free softwares that add hydrogens in the structure of a protein, as openbabel and chimera. The first is my choice. Best regards, Sergio Citando "Max Porrini mozz76(0)gmail.com" : > 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 >