[Biopython] Problem writing a PDB with multiple models

Claudia Millán Nebot cmncri at ibmb.csic.es
Tue Oct 27 15:25:46 UTC 2015


Dear Hongbo and João,

thank you both! I got my models named right now, but as João points out,
the TER keeps appearing.
Anyway, I am happy that it is something that can be helpful for other
cases because
it is a general problem in the writing of
the file. I will updgrade my Biopython installation as soon as the fix is
available. Thanks again! :)

Best,

Claudia

2015-10-27 13:40 GMT+00:00 Hongbo Zhu 朱宏博 <macrozhu at gmail.com>:

> if you look at PDBIO.py :
>
> if model_flag:
>     fp.write("MODEL      %s\n" % model.serial_num)
>> so model.serial_num is written, not model.id.
>
> Although the BioPython FAQ says:
>
> What is a model id?
>
> The model id is an integer which denotes the rank of the model in the
> PDB/mmCIF file. The model is starts at 0. Crystal structures generally have
> only one model (with id 0), while NMR files usually have several models.
>
>
> So perhaps one of them should be updated?
>
> hongbo
>
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