MagresView 1.6.2

First MagresView release on GitHub. The software is in a mature state and provides the following functionality:

• loading and visualisation of .magres files, including ellipsoid, label, and colour scale visualisation of Magnetic Shielding and Electric Field Gradient tensors
• visualisation of Indirect Spin Coupling tensor isotropies with links
• computation and visualisation of Dipolar Coupling constants with links
• full treatment of periodicity - periodic copies of a given atom will be included when computing couplings
• basic 1D and 2D peak prediction using MS and EFG data
• computation of Euler Angles between tensor principal axis systems
• textual output in the form of tabulated data, reports, or input files for simulation software Simpson and SPINSYS

MagresView comes in the format of a web page, and while it can be opened locally, it is suggested for optimal performance that it is run in a local server. A simple way to do it in a system where Python is installed is to use the command:

python -m SimpleHTTPServer

while in the folder containing MagresView, and then visit the URL http://localhost:8000/magres_view.html. Use of Firefox or Google Chrome is advised.