rpxdock.rotamer package

Submodules

rpxdock.rotamer.richardson module

rpxdock.rotamer.richardson.concat_rotamer_space(rotspace)

rpxdock.rotamer.richardson.get_rotamer_index(rotspace)

extract AA structural info via pyrosetta

rpxdock.rotamer.richardson.get_rotamer_space(concat=False, disulf=False)

B is disulfide, x4 -> x2other n num observations fabo total fraction/alpha/beta/other x#a chi # “act” x# chi # “com” x#r chi # range text x#w chi # peak width lb#/ub# chi # range

rpxdock.rotamer.richardson.get_rotamer_space_raw()

rpxdock.rotamer.richardson.localpath(pth)

rpxdock.rotamer.richardson.merge_on_chi(rs, chi)

rpxdock.rotamer.richardson.print_full(x)

rpxdock.rotamer.richardson.sample_rotamer_space(rotspace, resl=[10, 10, 10, 10])

rotamer samples

rpxdock.rotamer.rotamer module

rpxdock.rotamer.rotamer.assign_rotamers(rp, rotspace=None)

rpxdock.rotamer.rotamer.check_rotamer_deviation(rp, rotspace, quiet=False)

Module contents