DISCON Documentation

Table of Contents

1. Introduction
2. Installation
3. Janocchio Interface
        A simple comparison of calculated and experimental values - single structure
        Comparison of calculated and experimental values - a range of isomers or conformers
4. More Details on Janocchio Features
Janocchio Files
Creating, saving and opening files
NOE Calculation Parameters
Equivalent Protons
Coupling Constant Calculation Parameters
Vicinal Proton-Proton
Vicinal Proton-Carbon
Cell Colouring
5. DISCON: Generating conformations
6. DISCON: Running jobs
7. DISCON: Viewing Results
8. Boltzmann distributions