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Updated Software Tools for Biomolecular NMR Structure Determination

Friday, November 08, 2013 — Poster Session IV

2:00 p.m. – 4:00 p.m.

FAES Academic Center (Upper-Level Terrace)




  • CD Schwieters
  • AS Maltsev


We present an overview of software developed and maintained in our group: new features include the ability to optimize ensemble weights when calculating ensemble-aware observables, new helper tools for easily visualizing molecular contacts and quality of backbone dihedral geometries, and improvement of the facility for refinement against NMR relaxation data. Additionally, we present a new graphical tool which greatly simplifies the process of generating Xplor-NIH scripts for new users.

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