[BioPython] Interface to sequence information in PDB Files?

Thomas Hamelryck thamelry at binf.ku.dk
Thu Jan 18 19:04:35 UTC 2007


Hi,

I would strongly recommend to use mmCIF files for header data
extraction. The PDB files contain a lot of errors that are fixed in
the mmCIF files. Moreover, the mmCIF format is much cleaner than the
messy PDB header. Note that Bio.PDB has an mmCIF parser which could
easily be used for sequence extraction and things such as that.

Note that there are probably (python) packages out there that already
do a good job of parsing the PDB header. Bio.PDB definitely focuses on
the atomic data.

Cheers,

-Thomas



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