NMRFx Structure

Runs Anywhere Calculate Structures Predict Shifts

Documentation Download

Software for Structure Generation and Shift Prediction

NMRFx Structure is undergoing rapid development and a full release and documentation will be coming "soon".

Cross Platform

Java based code allows running on Mac OS, Windows, and Linux


Jython (Python in Java) allows scripting in a standard language. Scripts can be used in the GUI or for command-line processeing

Features for structure calculation and chemical shift prediction

Mac OS



Simple Install


Powerful Commands

On Github