NMR-SHARC : mission


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NMR-SHARC is a cooperative, platform independent, program independent archving system for ab initio NMR chemical shift calculations (e.g. with: ACESII, DeMon-NMR, GAUSSIAN, IGLO, TEXAS ).

What does that mean in detail?

cooperative means that the NMR-SHARC system is a non-competitive, non-profit project.
One target of the project is to save computer time by sharing computed NMR results instead of doing them several times in competing research groups.

platform independent means that the data as well as the tools shall be usable on all standard computer systems (e.g. MacOS, UNIX/LINUX).

program independent means that as many as possible input (NMR program output) as well output formats are supported.
The Perspective of using the NMR-SHARC format is to provide formated data, which can easily be transformaed into CML - when there will be a CML (general chemical markup language).
Therefore the NMR-SHARC format is
one step towards CML, xhCML,...

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Last Update 2012-10-14 By Alk Dransfeld