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Software Tools for Studying Biomolecular Structure and Dynamics

Wednesday, September 13, 2017 — Poster Session I

12:00 p.m. – 1:30 p.m.
FAES Terrace
CIT
STRUCTBIO-1

Authors

  • CD Schwieters
  • GA Bermejo

Abstract

We present an overview of recent updates to software package Xplor-NIH developed and maintained by our group. We discuss new developments in the implementation of strict symmetry for the calculation of symmetric homo-oligomers, and in the representation of the system as an ensemble of structures to account for motional effects. A new geometrical restraint for hydrogen bonds is introduced. Finally, the different available force fields are presented, among other Xplor-NIH capabilities.

Category: Structural Biology