Figure 2
SA algorithm as implemented in DAMMIN (left) and DAMMIF (right). An initial starting model X is refined to yield the best possible fit to the experimental data. In DAMMIN, only one neighbouring model is taken into account at a time. If multiple cores or CPUs are available, it is possible to prefetch multiple models in parallel, here shown as , , . Each prefetched model is then examined and either accepted or rejected, according to the rules of SA. |