DISCON Documentation
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DISCON
Documentation
Table of Contents
1. Introduction
2. Installation
3.
Janocchio I
nterface
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
Normalization
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