Software Tools for Biomolecular Structure Determination

Authors

• CD Schwieters

Abstract

We present an overview of recent updates to software developed and maintained in our group. Recently, two new approaches have be implemented for incorporating residual dipolar coupling restraints into structure calculations such that they can be used in calculation of ensembles of disparate structures; the choice of approach depends on whether or not the system of interest significantly interacts with the aligning medium via electrostatic forces. Improvements to the tools for using SAXS data in structure calculations have been implemented, such that systems with very large rigid bodies can now be efficiently treated. We have also recently demonstrated that electron microscopy maps can be included with NMR restraints in calculations of RNA structures, and that the two sources of data are quite complementary. Finally, we have implemented new facilities for accurately incorporating solvent PRE data in structure calculations.

Scientific Focus Area: Structural Biology

This page was last updated on Friday, March 26, 2021