[phenixbb] Real space implementation of DEN refinement?

Oliver Clarke olibclarke at gmail.com
Fri Jul 11 08:22:49 PDT 2014

Hi all,

Just wondering whether there is any capacity to include DEN restraints in phenix.real_space_refine, e.g. as implemented in the program DireX (see ref below), or any possibility of implementing such in a future release of PHENIX?

This would be very handy for refinement of models into low resolution maps (particularly EM maps).

Also, on a different but related topic, does anyone have any suggestions as to how to handle model validation (local and global) at low resolution in real-space? It seems as though there is not a solid consensus on how to handle this.

Many thanks,

1.	Schröder, G. F., Brünger, A. T. & Levitt, M. Combining Efficient Conformational Sampling with a Deformable Elastic Network Model Facilitates Structure Refinement at Low Resolution. Structure 15, 1630–1641 (2007).)
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