[Biopython-dev] Bio.PDB - Missing values (was Moratorium on commits?)

Morten Kjeldgaard mok at bioxray.dk
Tue Aug 20 18:35:14 UTC 2013


On 15/08/2013, at 16:54, Lenna Peterson <arklenna at gmail.com> wrote:

>>> I don't think writing string "None" into a fixed width field would be a
>> good
>>> idea. So it's probably best to change occupancy (and any other missing
>>> values set to None) to blank, correct width fields for writing.
>> 
>> I didn't mean to suggest writing the string "None" in the field, and
>> I'm not sure if João did - it would certainly be an invalid PDB file.
>> 
>> 
> I didn't mean anyone was suggesting we intentionally do this, but I bet
> that's what the writer is doing now!

I think the output should be identical to the input if a PDB file is read and then written again (apart from the fact that  Bio.PDB currently doesn't save all headers.)

Cheers,
Morten





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