NIH Resource for Macromolecular Modeling & Visualization University of Illinois at Urbana-Champaign

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CHARMM GUI for MDFF/xMDFF Structure Generation

MDFF and xMDFF are methods to refine structures of cryo-electron microscopy maps and low-resolution X-ray data, respectively. (For information about Molecular Dynamics Flexible Fitting and Molecular Dynamics Flexible Fitting for X-ray Crystallography see this MDFF/xMDFF informational page). Now it is possible to prepare structures for use with these methods directly from a GUI (graphical user interface) in the molecular dynamics program CHARMM. The GUI uses TCBG structural refinement algorithms and encompasses a web portal to generate the input files for either MDFF or xMDFF.

To access the CHARMM GUI, see the following links.
Generate structure files for MDFF (MDFF Utilizer)
Generate structure files for xMDFF (xMDFF Utilizer)

Funded by a grant from
the National Institute of
General Medical Sciences
of the National Institutes
of Health

Beckman Institute for Advanced Science and Technology // National Institutes of Health // National Science Foundation // Physics, Computer Science, and Biophysics at University of Illinois at Urbana-Champaign