ProSMART Tutorial

Generation Of ProSMART External Restraints
And Use In Crystallographic Refinement By REFMAC5

Rob Nicholls -
Paul Emsley -
Garib Murshudov -


In this tutorial, the generation and usage of ProSMART external restraints will be demonstrated using the 3.5Å structure 1ryx as an example. We will cover generating restraints to a homologous higher-resolution structure (2d3i, 2.15Å), and secondary structure restraints representing hydrogen bonding patterns. Other restraint types that are available through ProSMART include fragment-based helical restraints, general reference fragment-based restraints, and self-restraints.

We will also use ProSMART for structural analysis in the context of crystallographic refinement, in order to gain intuition about the local conformational state of the model before and after refinement with external restraints, and see how this information can be used to aid the model building/refinement procedure.



Here are a few key resources: