From owner-chemistry@ccl.net Thu Mar  5 12:22:01 2009
From: "Hannes Loeffler hannes.loeffler=-=stfc.ac.uk" <owner-chemistry . server.ccl.net>
To: CCL
Subject: CCL: PDB file format : List of atom name / element type correspondance
Message-Id: <-38760-090305093748-5709-OTHfpc18JIMSvql3MpGjaw . server.ccl.net>
X-Original-From: Hannes Loeffler <hannes.loeffler|stfc.ac.uk>
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Date: Thu, 05 Mar 2009 13:57:32 +0000
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Sent to CCL by: Hannes Loeffler [hannes.loeffler#stfc.ac.uk]
On Thu, 2009-03-05 at 06:55 -0500, Peter Schmidtke
pschmidtke^mmb.pcb.ub.es wrote:
> Sent to CCL by: "Peter  Schmidtke" [pschmidtke**mmb.pcb.ub.es]
> Dear CCL subscribers,
> 
> I am looking for a list of atom names that occur in PDB files and
> their corresponding elements. Normally the PDB file convention says
> that the element has to be given explicitely in the column 77-78. 

I am not quite sure about this but I think metals may be indicated by
different alignment.  CA=C-alpha for example starts at column 14 whereas
a CA=calcium starts from column 13.  But this may be just a convention
followed by some and not in the standard...