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- get_orientation(...) method of builtins.PyCapsule instance
- get_orientation(a : rosetta.numeric.xyzVector_double_t, b : rosetta.numeric.xyzVector_double_t, aphi : int, theta : int, dist : float) -> NoneType
cj gets the orientation of a to b (i to j, see below)
cj does this by calculating two angles, aphi and theta
- get_overlap(...) method of builtins.PyCapsule instance
- get_overlap(ra : float, rb : float, dist : float, olp : int) -> NoneType
cj getting overlap from a to b (or i to j, see below)
cj this returns the degree of overlap between two atoms
cj adapted from erics code in area.c GetD2
cj returns value from 1 to 100
cj This calculation is based on the law of cosines,
cj see LeGrand and Merz, Journal of Computational
cj Chemistry 14(3):349-52 (1993).
cj Note that equation (4) is wrong, the denominator
cj should be 2r r instead of 2r r
cj i iq i q
- input_sasa_dats(...) method of builtins.PyCapsule instance
- input_sasa_dats() -> NoneType
cj Reads in sampling/SASA-angles.dat sampling/SASA-masks.dat
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