rmcgibbo/mdtraj — pull request #540 by rmcgibbo (2014-08-25 04:48:03+00:00)
Title: [WIP] DSSP secondary structure assignments

cc #447 and #399

(1) change kabsch_sander to not overload the semantics of the ca_indices array with -1s in the place of prolines.
(2) don't use _mm_rsqrt_ps. it wasn't accurate enough to pass the tests for DRID, so it's probably not a good choice here.