Constraint Generation, Evaluation and Export

Table of Contents

Introduction
Distance Constraint Table
Generating Constraints from NOESY Peaks
Calibration
Inspecting Constraints
Constraint Peak Info
Constraint Map
Constraint Export/Import

Introduction

The Constraint Tool provides features for both analyzing and generating constraints for structure generation, and for assigning NOE spectra. The tool can take one or more peak lists and generate possible assignments for the peaks. A first step in the analysis displays the number of peaks that can be assigned, including a count of those with an excessive number of assignment possibilities. An iterative procedure can be used to automatically adjust the assignment tolerance to match a target fractional assignment.