Merge and split restraint lists

To prepare generated restraint lists in Analysis for an external structure calculation (in e.g ARIA), we need to merge and split the restraint lists to generate restraints that are separated into "Unambiguous" and "Ambiguous" categories. The "Ambiguous" restraints and peaks can then be treated differently in the structure calculation.

Instructions

Go to the {Restraint Lists} tab in the Structure: Restraints and Violations popup using M: Structure: Restraints and Violations. Select lists that derive from the same experiment by clicking on the relevant rows while holding down ‘Ctrl’. Click [Merge Lists] to merge these lists. You will see that the restraints have been combined and there is now only one list from the experiment. Select the merged restraint list and click [Split Ambig/Unambig] to divide the list into ambiguous and unambiguous restraints.

Command flowchart