Charts

The Charts menu provides a number of ways to conveniently display results of, for example, structure analyses and assignment overviews in charts.

Assignment Graph

Opens the Charts: Assignment Graph popup. The assignment graph provides a graphical overview of all the assignments that are currently present in a project. It can optionally show different atoms, as well as different types of connections, for example, intra residual or sequential connections.

Chemical Shifts Table

Opens the Charts: Chemical Shifts Table popup. This popup can be used to create a custom table containing all the chemical shifts in the project that can be exported in text or postscript format.

Secondary Structure Chart

Opens the Charts: Secondary Structure Chart popup. Here, the user has access to various sources of information that help identify secondary structure elements in proteins using NMR data. These include chemical shift deviations from random coil values, relative intensities of proton-proton distances and 3J HN-HA couplings typically found in protein secondary structure elements. Data are displayed both in table format and as a chart.

Residue Interaction Matrix

Opens the Charts: Residue Interaction Matrix popup. The residue interaction matrix provides a chart that displays the interactions between selected residues in a polymer sequence that are found in specified peak or restraint lists. The matrix provides an indicator for the fold of the molecule in the sense that it shows which regions in the molecule are in close proximity. Also, it provides quick insight into secondary structure elements that are present in the polymer. For example, proteins show typical patterns in the interaction matrix for helices and parallel or anti-parallel beta sheets.

Ramachandran Plot

Opens the Charts: Ramachandran Plot popup. The popup allows easy viewing of the phi and psi angle combinations in the well known Ramachandran plot. Ramachandran plots can be viewed for all or individual models and residues in an ensemble. Various options are available to modify the charts appearance, such as colours and labels.