[BioPython] Bio.PDB : model count in NMR structures
Thomas Hamelryck
thamelry at binf.ku.dk
Thu Apr 14 04:45:13 EDT 2005
Hi Arun,
> In the course of extracting sequence information for a sub-set of PDB
> files and writing out specific parts using the Bio.PDB classes, I ran
> across an anomaly. When parsing NMR structures, if I query the number
> of models present in the structure thus :
>
> str = p.get_structure('8tfv', '8tfv.pdb')
> mdls = Selection.unfold_entities(str, 'M')
>
> print len(mdls)
>
> , the number of models printed always exceeds the number present in
> the file by 1. A mdls[-1].get_list() yields an empty chain list. Is
> this a known issue, or even, a feature ?
Thanks for reporting this bug. I've fixed it in CVS.
BTW, len(str) will give you the number of models.
Best regards,
-Thomas
--
Thomas Hamelryck, Postdoctoral researcher
Bioinformatics center
University of Copenhagen
Universitetsparken 15 Bygning 10
2100 Copenhagen, Denmark
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