[MMTK] MMTK and missing atoms

Sabine Beraud Sabine Beraud <sabine@nmr.clarku.edu>
Sun, 20 Oct 2002 14:12:12 -0400 (EDT)


Hi Konrad,

I hope you enjoyed your holidays and thanks for you reply. To be more precise, I 
would like to create peptide chain objects:

configuration = PDBConfiguration(file.pdb)
monomer = configuration.createPeptideChains()[0]

But if an atom is missing in file.pdb, the program stops.
(ex. of message error: "ValueError: position of .Arg5.sidechain.C_delta is 
undefined")
I would like to know if there is a way to avoid that.

Thanks,

Sabine

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Sabine Beraud
Carlson School of Chemistry                          
Clark University                                     
950 Main Street
Worcester, MA 01610-1477
USA
Tel: +1-508-793-7112            Fax: +1-508-793-8861 
E-mail: sabine@nmr.clarku.edu              
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