MolSkop: Towards NMR Molecular Scope
The market is now supplying balanced computer platforms for chemical research which integrate both computation power and graphic ability. This new type of computer well fits NMR applications which require (1) graphics functionality for interactive spectral analysis, (2) rapid calculation of molecular structures based on NMR parameters and (3) the real time quick view of the spectra in two or three dimensions or the obtained molecular structures. Computers have always been one of the major motive forces driving the development of modern NMR instruments by which the performance of data throughput is dramatically improved. It is time for us to have an integrated system which is composed of a NMR spectrometer and a versatile computer. The system is expected to take care of (protein) chemists in tasks from the data acquisition to the display of molecular structures through rapid numerical computation. If it were fully supported to run in an automatic manner, it would be deserved to be called a ‘NMR molecular scope’. This seems to be a bold extension of the microscope concept in optics.