Molecules

Molecular Topology

NMRFx Analyst applications are often about studying molecules, so it's not surprising that you can use it to keep track of information about your molecule. NMRFx Analyst supports the use macromolecules like proteins and RNA and the use of small molecules (including ligands of macromolecules). But h...

3D Molecular Viewer

The Moleculear Viewer has three tab panes. One for a three-dimensional viewer, one for an RNA secondary structure viewre and one for a flat-2D viewer for small molecules. Three-Dimensional Viewer The Three-Dimensional Molecular Viewer is, like all of NMRFx Analyst, a cross-platform tool written...

RNA Secondary Structure Viewer

This tool allows displaying the secondary structure of RNA and can include the display of distance constraints and deuterium labeling. Open the tool up by choosing the RNA Sec Structure menu item from the Molecule -> Analysis menu. If you're RNA molecule has not had a secondary structure assigne...

Chemical Shift Prediction

NMRFx can predict the chemical shifts of proteins, RNA and small molecules. Each of these three molecule types has a specific type of predictor. The Chemical Shift Predictor GUI is available from the Predict menu of the Atom Table (display it from the Molecule menu). NMRFx has multiple lo...

Chemical Shift Analysis

NMRFx Analyst can use chemical shift to provide an analysis of the molecule. The Sequence Display tool (available from the Molecule menu can display polymer (protein and RNA) sequences and plot information derived from the chemical shifts. Annotations The Sequence Display tool can render...