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Software Author, creator Operating system First public release Latest stable version Cost in USD License External link cuteNMR Linux, macOS, Windows: November 9, 2010 (14 years ago) () 0.1 alpha1 (November 9, 2010; 14 years ago ()) Free GPLv2: GSim Linux, Windows August 22, 2006 (18 years ago) () 21.3
List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...
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).
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.
Software is written in standard Fortran 77 and also has an interactive command language that allows the use of Fortran 77 mathematical and character expressions, macros, control flows and parallelization. Standard protocols are also written in this command language and can be modified by user without changing the source code. [3]
Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). [2] [3] It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins (protein NMR), termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability ...
It is used in the fields of X-ray crystallography and nuclear magnetic resonance spectroscopy of proteins (NMR) analysis. [ 1 ] X-PLOR is a highly sophisticated program that provides an interface between theoretical foundations and experimental data in structural biology, with specific emphasis on X-ray crystallography and nuclear magnetic ...
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