From owner-chemistry@ccl.net Thu Aug 2 10:31:00 2007 From: "Max Porrini mozz76|,|gmail.com" To: CCL Subject: CCL: adding hydrogens Message-Id: <-34850-070802074245-17681-kHFpkl7C2Iv+RIxPaBmfiw(_)server.ccl.net> X-Original-From: "Max Porrini" Content-Type: multipart/alternative; boundary="----=_Part_19079_11125243.1186051189843" Date: Thu, 2 Aug 2007 13:39:49 +0300 MIME-Version: 1.0 Sent to CCL by: "Max Porrini" [mozz76**gmail.com] ------=_Part_19079_11125243.1186051189843 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline 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 ------=_Part_19079_11125243.1186051189843 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline 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
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