[phenixbb] Refinement with new mtz.file
nechols at lbl.gov
Tue Jul 22 08:38:08 PDT 2014
On Tue, Jul 22, 2014 at 7:35 AM, Morten Grøftehauge <
mortengroftehauge.work at gmail.com> wrote:
> you can use that as restraint (constraint? I can never remember the
See here: https://www.phenix-online.org/version_docs/1.9-1692. Short
version: restraints keep parameters similar (or moving together),
effectively adding "observations"; constraints actually reduce the number
of parameters. For example, the individual_sites and individual_adp
strategies in phenix.refine use restraints (on geometry and ADP
similarity), while the rigid_body and group_adp strategies use constraints
(treating groups of atoms collectively).
So yes, "restraint" is the correct term for the reference model feature.
But it's amazing how often I see the terms confused in methods sections!
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