From chemistry-request-!at!-server.ccl.net Mon Nov 18 06:08:53 2002 Received: from ribotargets.com ([194.129.39.11]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id gAIB8ru18318 for ; Mon, 18 Nov 2002 06:08:53 -0500 Received: from szilva (helo=localhost) by echo.ribotargets.com with local-esmtp (Exim 3.13 #1) id 18Djho-0005E6-00 for chemistry-: at :-ccl.net; Mon, 18 Nov 2002 11:04:40 +0000 Date: Mon, 18 Nov 2002 11:04:40 +0000 (GMT) From: Szilveszter Juhos To: Computational Chemistry List Subject: PDB H atom name convention Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCL, I could not find a definitive guide how the hydrogens in PDB files should be called. There is an advisory with some IUPAC->PDB hints at http://www.rcsb.org/pdb/lists/pdb-l/199907/msg00013.html , but I hope there is a concise on-line version somewhere since this list does not include nucleic acid residues I need. The article they are referring to J.L.Markley, et al., "Recommendations for the Presentation of NMR Structures of Proteins and Nucleic Acids," Pure & Appl. Chem., 70 (1998): 117-142 is still a recommendation or an accepted standard? If you know an URL (or an article) that serves as the standard, please let me know. Thanks: Szilva