Mnova 14.1.1 has just been released with the usual bunch of useful bug fixes and with a new product, Mnova StereoFitter, that addresses problems associated with stereochemistry.
In adittion to several bug fixes since we released Mnova 14.1 back in September, we are launching Mnova StereoFitter with Mnova 14.1.1. Read below a brief description of this new product
1. New Product! Mnova StereoFitter
Stereofitter is an advanced software tool for 3D conformational and configurational analysis using experimental constraints from NMR spectra.
What can Mnova StereoFitter do for you?
StereoFitter computes the probability of 3D structural configurations and/or conformations, based on various forms of NMR experimental data input. Currently, StereoFitter can accept four distinct types of input in order to calculate the best 3D structure candidate(s): NOEs, RDCs, Js, and chemical shifts.
- Selects the simplest model
- Results are presented in order of best fit
- Various formats of external structure files are compatible: SDF, XYZ, MAE
- Chemical shifts can be computed within StereoFitter using DFT
Who should be using it?
- Medicinal chemists or chemists in a Drug Discovery environment
- Computational chemists
- Academic research and development groups
- Analytical chemists dealing with stereochemistry problems
- Other industries with questions about stereochemistry
You can check bug fixes for Mnova 14.1.1 in our changelog here