[BioRuby] Proton Nomenclature in PDB

Florian Odronitz odo at mac.com
Thu Dec 13 08:23:48 UTC 2007


Hi,

I am using Bio::PDB in my NMR-related software project. I was  
encountering a problem with the naming of protons that were generated  
by PyMol and MolMol and wrote a method to rename the protons according  
to BMRB nomenclature (http://www.bmrb.wisc.edu/ref_info/statsel.htm).
If anyone thinks this could be useful to others, I would like to  
contribute  it to BioRuby. Or is it to specific? Maybe I could do it  
in a more general way since it also involves things like bonding which  
are, to my understanding, not implemented yet. Who would be the right  
person to talk to?

Thanks,
Florian




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