Computational Biomolecular Magnetic Resonance Core

Charles D. Schwieters, Ph.D., Director

View staff and contact information.

The Computational Biomolecular Magnetic Resonance Core maintains the following software programs using experimental data from nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR). Visit the links below for more information about each software program, including download instructions.

• XPLOR-NIH structure determination program – determine the structure of biomolecules from NMR, EPR, cryo-electron microscopy (cryo-EM) and other sources of experimental data.
• VMD-XPLOR visualization package – an alternate interface to the visual molecular dynamics (VMD) program useful for visualizing ensembles of structures in the context of experimental data.

The Core collaborates with researchers both within the NIH Intramural Program—including the NIDDK Laboratory of Chemical Physics—and internationally.