[BioPython] Problem with Bio.PDB documentation for HSE

Peter biopython at maubp.freeserve.co.uk
Wed Jul 25 13:11:21 UTC 2007


Actually...

Shameer was trying to use this HSE code:
>> #!/usr/bin/python
>> from Bio.PDB import *
>> parser = PDBParser()
>> structure = parser.get_structure('str1', '1crn.pdb')
>> model=structure[0]
>> hse = HSExposure()
>> exp_ca = hse.calc_hs_exposure(model, option='CA3')
>> exp_cb = hse.calc_hs_exposure(model, option='CB')
>> print exp_ca[100]

I replied:
> I'm guessing that code was based on a very old copy of the sample file:
> biopython/Scripts/Structure/hsexpo (which lacks a .py extension), dating 
> to the release of Biopython 1.40 or earlier.  Note that the DSSP, 
> ResidueDepth and HSExposure classes changed two years ago.

I've realised that Shameer's code looks like it was based on page 12 of 
the "The Biopython Structural Bioinformatics FAQ" (i.e. the guide to 
Bio.PDB), http://biopython.org/DIST/docs/cookbook/biopdb_faq.pdf

Thomas - it looks like the documentation needs updating here. As far as 
I can tell, the source is not in CVS...

Peter



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