Janocchio Documentation

Table of Contents

1. Introduction
2. Installation
3. Workflows
A simple comparison of calculated and experimental values - single structure
Comparison of calculated and experimental values - a range of isomers or conformers
Calculation of conformer populations using NAMFIS
4. More Details on 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
Obtaining 3D structures

List of Figures

3.1. The main Janocchio window
3.2. Adding a label
3.3. Adding a label
3.4. Adding a label