CNS

CNS stands for "Crystallography and NMR System" and is an integrated and full-featured program for the determination and refinement of X-ray crystallographic and NMR structures.

Among its capabilities is simulated annealing molecular dynamics refinement.

• CNS home page

There exists an inofficial parallelization (OpenMP) source code patch for CNS, distributed by kay dot diederichs at uni-konstanz dot de. The parallel version features (roughly) a 2-fold speedup on a 4-core machine for a typical simulated annelaing omit map run.

Consider also the more automated and user-friendly PHENIX which, although less complete, is under more active development.