Dear Xplor-NIH users Is there a way of implementing the systematic swapping of prochirals (methylenes, methyls) during simulated annealing in Xplor-NIH? Some structure calculation programmes such as ARIA-CNS have this capability, but I wasn't sure about Xplor-NIH. I've been using sum averaging up to now, but I was just curious if the swapping approach could be used.
Many thanks David Yadin -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20110405/18f829ff/attachment.html
