This popup lists a number of predefined isotope labelling schemes and allows the user to create new and edit or delete existing schemes.

Save Schemes

This option saves any new or modified labelling scheme in the project.

Labelling Schemes

The {Labelling Schemes} tab lists all the currently defined isotope labelling schemes in the project, and allows the user to copy, edit, create new schemes and delete existings schemes.

The Molecules: Isotopomer Schemes popup (Labelling Schemes).

Labelling Schemes table

This table lists all the labelling schemes in the project.

Code

The code of the labelling scheme.

Name

The name of the labelling scheme.

Description

The description of the labelling scheme.

Save Location

The locatuon where the schemes are saved. Predefined schemes are saved in refData; user defined new schemes are saved in userData.

Copy

Copies the selected scheme into a new one, for which the name is set using a Input text popup.

Remove

Removes the selected labelling scheme.

New

Creates a new labelling scheme, for which the name is set using a Input text popup.

Isotopomers

The {Isotopomers} tab lists ......

The Molecules: Isotopomer Schemes popup (Isotopomers).

Set Default Abundances

Edit documentation here.

Set Natural Abundance Default

Edit documentation here.

Molecule Type

Edit documentation here.

Isotopomers table

Edit documentation here.

CcpCode

Edit documentation here.

Variant

Edit documentation here.

Weight

Edit documentation here.

Remove Selected

Edit documentation here.

Copy Selected

Edit documentation here.

Add Deafult Abundance Set

Edit documentation here.

Set Atom Type To Default

Edit documentation here.

Add New

Edit documentation here.

ccpCodePulldown

Edit documentation here.

Chemical Element

Edit documentation here.

Water Exchangeable Atoms

Edit documentation here.

Isotopomers table 2

Edit documentation here.

Atom Name

Edit documentation here.

Weighting 12C

Edit documentation here.

Weighting 13C

Edit documentation here.

%12C

Edit documentation here.

%13C

Edit documentation here.

Reset Selected to Default Abundance

Edit documentation here.

Propagate Abundances

Edit documentation here.

Isotopomer Structure

The {Isotopomer Structure} tab provides a structure view of the selected residues with its isotope labelled residues highlighted.

The Molecules: Isotopomer Schemes popup (Isotopomer structure).

Residue Type

Selects the residue type to display.

Isotopomer

Specifies which isotopomer to show (as defined in the {Isotopomer} tab).

viewIsotopomerFrame

This frame shows the structure of the isotopomer.