Mspin
Price From: €81.50

Quick Overview

Mspin is a new multiplatform software tool for the computation of NMR related molecular properties starting from 3D molecular structure. Mspin can compute Scalar Coupling Constants, NOE’s enhancements and Residual Dipolar Coupling

Now select your license configuration to calculate your price.

* Required Fields

More Info

Scalar coupling constants, in particular vicinal (3J) couplings, are widely used in NMR for the determination of relative stereochemistry and preferred conformation of molecules.A number of different empiric equations to correlate the dihedral angle with the 3J values have been proposed, the Karplus equation being the most famous.
The NOE (nuclear Overhauser effect) experiment is also extensively used, primarily, to define the stereochemistry within a molecule. Unlike scalar couplings, its mode of operation relies on the direct, through-space interaction between nuclei, and is independent of the presence of through-bond couplings.
The residual dipolar coupling (RDC) is able to provide global orientations between remote internuclear vectors. RDC have been widely used for the analysis of proteins and nucleic acids, but to a lesser extent in the small molecules area.More information
My Cart

You have no items in your shopping cart.

More than 10+ licenses?

For quotes or orders of 10+ licenses, please contact us sales@mestrelab.com to benefit from a volume discount

We offer 2 types of licenses

1) Nominated licenses - these are standard licenses based on one license per end-user. We offer site licenses and multiple user licenses
2) Concurrent licenses - these are floating licenses and allow an unlimited number of users and installations within a network but limits the number of simultaneous users at any given moment (e.g. one at a time)