CCL: PDB file format : List of atom name / element type correspondance



 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. Unfortunately, this is
 currently not systematically the case within the PDB and for PDB files saved
 with software packages (some commercial software I won't mention here and other
 packages).
 Last, Softwares often change atom names before output, in order to encode
 program internal atom types.
 Is there any way to guess the element from the atom name or is there any
 translation list out there?
 Thanks in advance.
 Peter Schmidtke
 ----------------------
 PhD Student at the Molecular Modeling and Bioinformatics Group
 Dep. Physical Chemistry
 Faculty of Pharmacy
 University of Barcelona