pandegroup/pdbfixer — pull request #60 by peastman (2014-10-29 17:34:36+00:00)
Title: Initial positions of added residues are more intelligently chosen

I tested this on the 19 files that previously failed every time. With this change, 14 of those files succeeded at least once, and 7 of them succeeded every time.

I then let the full test suite run overnight. It got through 154 files. Out of those files, 94% of all tests passed (compared to 89% before), and 80% of files passed every time (compared to 69% before). There were 36 files that passed more often than before and 17 that passed less often.