[Biopython-dev] Features of the GSOC branch ready to be merged

Peter biopython at maubp.freeserve.co.uk
Wed Dec 1 17:15:20 UTC 2010


On Wed, Dec 1, 2010 at 5:01 PM, João Rodrigues <anaryin at gmail.com> wrote:
> I also noticed one thing: metal ions like CA and CL have their names
> starting one character before regular C and N atoms. That allows some
> discrimination between CA (alpha carbon) and CA (calcium) for example. I'd
> never noticed this before, ...

Is this documented in the PDB format definition? More importantly,
do third party tools follow this rule? They are the only reason we
need the code to guess the element in the first place, right? (Since
the PDB provided files should all have the element column).

Peter




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