Create a database integrated within Mnova for the shared storage and search of molecular structures, NMR and LC-MS and GC-MS analytical data.
Separate download available at https://mestrelab.com/download/mnova/db/
Mnova 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.
Three standalone pieces of software, that require no licensing to improve your workflows:
ExsyCalc- quantitative analysis of EXSY experiments to calculate the rate constants.
MestReJ- A free tool for the prediction of vicinal proton-proton 3J(HH) coupling constants.
MestReS- A virtual NMR simulator to learn and practice the NMR instrumental techniques.