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]
How to import HSExposure?
Calculate HSEalpha
Calculate HSEbeta
Calculate classical coordination number
Print HSEalpha for a residue