This popup allows the user to create a graph overview of the assignments and connectivities in the project. A variety of different types of assignments and connections can be shown, such as sequential assignments from experiments based on through-bond connectivities, and long range assignments from NOESY spectra. The type of connections shown depend on a set of selected experiments in which the assignments are made. The user can define the settings for the graph display in the {Options} tab. 

Refresh

Refreshes the assignment graph.

Graph

The {Graph} tab shows the assignment graph, which contains a sequence of residues and atoms groups in the selected molecular chain. Assigned atoms are shown in black when no isotope labelling scheme is applied, and connectivies are drawn around and between the atoms in the color of the spectrum. Display of assignments and connectivities for individual residues can be switched off and on by clicking on any of the atoms under a residue. The graph is automatically updated after making changes to the options.

The Charts: Assignment Graph popup (Graph).

Chain

Specifies the molecular chain for which assignments and connectivities are shown.

Connection Type

Specifies the connection type to be shown, options are:

• • Intra-residue

  • Sequential

  • Within 4 residues

  • 2 to 4 residues

  • Long range

  • All connections

canvasFrame

This is the frame that contains the assignment graph.

horizScrollbar

This is the scrollbar that can be used to scroll horizontally through the assignment graph.

Options

The {Options} tab allows the user to set any other options for displaying the assignment graph. Selections can be made for the spectra, atoms and residues, and further refined with options for isotope labelling schemes.

The Charts: Assignment Graph popup (Options).

Spectra

Shows a list of all the spectra as buttons that can be used to toggle the display of information of spectra in the assignment graph on or off. Selected spectra are highlighted in their spectrum color.

Atoms Shown

Shows a list of all the atoms as buttons that can be used to toggle the display of information of specific atoms groups in the assignment graph on or off. Selected atoms are highlighted in purple.

backbone, alpha & beta

Switches the atom selection at once to include backbone, alpha and beta atom groups. 

backbone, alpha - delta

Switches the atom selection at once to include backbone and alpha to delta atom groups. 

All atoms

Switches the atom selection at once to include all atom groups. 

Residues shown

Shows a list of all the residue types as buttons that can be used to toggle the display of information of specific residues in the assignment graph on or off. Selected residues are highlighted in purple.

All residues

Switches the atom selection at once to include all residues. 

Invert Selection

Inverts the residue selection.

Isotope Labelling

This frame allows the user to specify which isotope labelling scheme to use and set the options for displaying isotope scheme dependent information in the graph.

Scheme

Specifies which isotope labelling scheme to use in the graph. See also Molecules: Isotopomer Schemes.

Min Isotope Fraction

Specifies the minimum isotope fraction in the selected labelling scheme.

Labelled Colour

Specifies the colour to use for the atom groups in assignment graph that are labelled with the selected isotope.

Isotope

Specifies the isotope that is coloured in the atom groups of the assignment graph.

Colour Gradient

If selected, a colour gradient is used for atom groups that are labelled with the selected isotope. 

Unlabelled Colour

Specifies the colour to use for the atom groups in assignment graph that are not labelled with the selected isotope.