Difference between revisions of "Compatible software"
From NMReDATA
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|'''NMR Record''' | |'''NMR Record''' | ||
|'''Examples of output''' | |'''Examples of output''' | ||
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|- | |- | ||
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | |[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | ||
− | | | + | |[http://nmrshiftdb.nmr.uni-koeln.de/portal/js_pane/P-Quickcheck QuickCheck] |
|Stefan Kuhn | |Stefan Kuhn | ||
|Web browser | |Web browser | ||
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|not implemented | |not implemented | ||
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | |[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | ||
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|- | |- | ||
|Javatools GUI and library | |Javatools GUI and library | ||
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|read/write/validate | |read/write/validate | ||
|not implemented | |not implemented | ||
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| | | | ||
|- | |- | ||
− | | | + | |TopSpin |
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse] | |[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse] | ||
|Bruker | |Bruker | ||
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|write | |write | ||
|write | |write | ||
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| | | | ||
|- | |- | ||
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|Spectrus | |Spectrus | ||
+ | |Spectrus Processor | ||
|ACD/Lab. | |ACD/Lab. | ||
|? | |? | ||
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|write (?) | |write (?) | ||
|write (?) | |write (?) | ||
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| | | | ||
|- | |- | ||
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|Mnova | |Mnova | ||
+ | |[http://mestrelab.com/software/mnova/nmr/ Mnova NMR] | ||
|Mestrelab | |Mestrelab | ||
|Mac OS, Windows, Linux? | |Mac OS, Windows, Linux? | ||
|Announced for Q1 2018 | |Announced for Q1 2018 | ||
|? | |? | ||
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| | | | ||
| | | | ||
|- | |- | ||
|Mnova | |Mnova | ||
− | |[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script | + | |[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files] |
|Damien Jeannerat | |Damien Jeannerat | ||
|Any system running Mnova | |Any system running Mnova | ||
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|generate (When spectra are available) | |generate (When spectra are available) | ||
|[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records] | |[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records] | ||
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|- | |- | ||
|Matlab/Octave | |Matlab/Octave | ||
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|read | |read | ||
|read | |read | ||
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|- | |- | ||
|} | |} |
Revision as of 15:22, 27 April 2018
This page is under construction...
The list is tentative and was not validated by (all) the authors...
Software Platform | Product/tool | Developer | Operating system | Version | NMReDATA | NMR Record | Examples of output |
nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | generate | not implemented | link |
Javatools GUI and library | githubThe_name_of_the_soft? | Stefan Kuhn | Any Java-enabled | Pre-alpha | read/write/validate | not implemented | |
TopSpin | CMCse | Bruker | Windows, Linux and MAC OS X | V. ? | write | write | |
Spectrus | Spectrus Processor | ACD/Lab. | ? | V. 2017.2 and later | write (?) | write (?) | |
Mnova | Mnova NMR | Mestrelab | Mac OS, Windows, Linux? | Announced for Q1 2018 | ? | ||
Mnova | Mnova script exporting .mnova files | Damien Jeannerat | Any system running Mnova | V.1.1 (see below) | generate | generate (When spectra are available) | NMR records |
Matlab/Octave | NMReDATA_View | Damien Jeannerat | read | read |
Company/Organisation | Product/Software | Developer | Operating system | Version | NMReDATA | NMR Record | Examples of output | Link |
nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | write | not implemented | link | web application |
Javatools GUI and library | Stefan Kuhn | Any Java-enabled | Pre-alpha | read/write/validate | not implemented | github | ||
Bruker | CMCse | Windows, Linux and MAC OS X | V. ? | write | write | link | ||
ACD/Lab. | Spectrus | ? | V. 2017.2 and later | write (?) | write (?) | |||
Mestrelab | Mnova | Mac OS, Windows, Linux? | Announced for Q1 2018 | ? | ||||
Mnova script exporting .mnova files | Damien Jeannerat | Any system running Matlab/Octave | V.1.1 (see below) | write | NMR records | |||
Unix script | Damien Jeannerat | Written to Mac OS could be adapter to other unix systems | V.1 (see below) | read -> | write | |||
Matlab/Octave Display record content | Damien Jeannerat | read |
The unix script written for Mac converting Mnova files to nmredata.sdf files and generating NMR records (when the spectral data are at their original locations) was written by Damien Jeannerat. It is available on github. It is probably also working on linux systems. It requires Mnova to be installed because it relies on Mnova script for the generation of the NMReDATA.