[phenixbb] Hydrogen adding and real space refinement
smith_lee123 at yahoo.com
Thu Feb 12 21:25:34 PST 2015
I find when I add H in the PDB file, in a refinement by Phenix, there is no real space refinement step (rsrl). If I do not add H in the PDB file, there is the rsrl step in the refinement.
Somebody told me it was because there was a bug in the Phenix I downloaded, somebody told me if H added, there would be no real space refinement. I myself cannot clarify it by reading documents.
Will you please clarify whether no rsrl step after H addition was because of bug or because of H addition leading to no rsrl step? And why H addition can lead to no rsrl step?
I am looking forward to getting your reply.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the phenixbb