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Comparison of software for processing NMR spectra. Software Author, creator ... TopSpin Bruker: Linux, Mac OS, Windows 4.0.8 Free (for academia) Proprietary:
High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...
NMRPipe is a Nuclear Magnetic Resonance data processing program.. The project was preceded by other functionally similar programs but is, by and large, one of the most popular software packages for NMR Data Processing in part due to its efficiency (due to its utilization of Unix pipes) and ease of use (due to the large amount of logic embedded in its individual functions).
Software by SpectralWorks for vendor-independent 'Open Access' client/server-based solutions to provide a "walk-up and use" LC-MS and GC-MS data system. Instrument control and data processing support for multiple vendors' hardware. NMR instrumentation and data processing are also supported. Scaffold Proprietary
The Collaborative Computing project for NMR spectroscopy was set up in with three main aims; to create a common standard for representing NMR spectroscopy related data, to create a suite of new open-source NMR software packages and to arrange meetings for the NMR community, including conferences, workshops and courses in order to discuss and spread best-practice within the NMR community, for ...
Learn how to download and install or uninstall the Desktop Gold software and if your computer meets the system requirements.
CYANA (combined assignment and dynamics algorithm for NMR applications) is a program for automated structure calculation of biological macromolecules on the basis of conformational constraints from nuclear magnetic resonance (NMR).
While 1D NMR is more straightforward and ideal for identifying basic structural features, COSY enhances the capabilities of NMR by providing deeper insights into molecular connectivity. The two-dimensional spectrum that results from the COSY experiment shows the frequencies for a single isotope , most commonly hydrogen ( 1 H) along both axes.