How to import HSExposure？

bigwiv / Biopython-cn

Biopython Tutorial Chinese Translation

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How to import HSExposure？ #16

Open autodataming opened 7 years ago

autodataming commented 7 years ago

How to import HSExposure？

model = structure[0] hse = HSExposure()

Calculate HSEalpha

exp_ca = hse.calc_hs_exposure(model, option='CA3')

Calculate HSEbeta

exp_cb=hse.calc_hs_exposure(model, option='CB')

Calculate classical coordination number

exp_fs = hse.calc_fs_exposure(model)

Print HSEalpha for a residue

print exp_ca[some_residue]

nnj1 commented 6 years ago

It seems likeHSExposure() is no longer an object, but rather a module comprised of 3 objects that fail to offer the same functionality as HSExposure()