[Biopython-dev] Redmine issue 2727 ready for pull

[Morten Kjeldgaard]

Hi,

I've finally gotten around to following up to a very old patch I sent to the redmine bug tracker [1]. The patch addresses the problem that Bio.PDB does not parse the important CRYST1 record.  In the bug comments, Peter Cock asked to include the explanation of the new keys in the docstring. That has now been done.

Peter also asks about the default values chosen (if the CRYST1 header is not present). These are probably universally chosen default values in various crystallographic programs, and these values are also used in PDB entries containinging NMR entries, for example.

My github branch containing the patch #2727 is in [2]. I am using Bio.PDB quite a lot, and I would like to contribute more to it in the future.

Cheers,
Morten


[1] https://redmine.open-bio.org/issues/2727
[2] https://github.com/mok0/biopython/tree/pdbwork