Difference between revisions of "Compatible software"
From NMReDATA
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− | This | + | This list is tentative - It has not been validated by (all) the authors. |
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{| class="wikitable" | {| class="wikitable" | ||
− | |+ | + | |+ Working software and tools |
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|'''Software Platform''' | |'''Software Platform''' | ||
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|'''Version''' | |'''Version''' | ||
|'''NMReDATA''' | |'''NMReDATA''' | ||
+ | |'''Supported NMReDATA versions''' | ||
|'''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 | ||
|4.1.12 | |4.1.12 | ||
− | | | + | |generate/write |
− | | | + | |1.0 & 1.1 |
+ | |generate | ||
|[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 | ||
− | |[https://github.com/NMReDATAInitiative/javatools github] | + | |see [https://github.com/NMReDATAInitiative/javatools github] |
|Stefan Kuhn | |Stefan Kuhn | ||
|Any Java-enabled | |Any Java-enabled | ||
|Pre-alpha | |Pre-alpha | ||
− | | | + | |generate/write/validate |
− | | | + | |1.0 & 1.1 |
− | | | + | |generate |
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− | | | + | |[[File:acd.jpg|border|center]] |
− | |[ | + | |[http://www.acdlabs.com Spectrus] using [http://https://www.acdlabs.com/resources/knowledgebase/macros/ a script] |
− | | | + | |ACD/Labs |
− | |Windows | + | |Windows |
− | | | + | |v. 2017.2 and above |
− | |write | + | |generate/write |
− | | | + | |1.0 |
− | | | + | |generate/write |
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|Mnova | |Mnova | ||
− | + | |[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files] | |
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− | |[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script | ||
|Damien Jeannerat | |Damien Jeannerat | ||
− | |Any system running | + | |Any system running Mnova |
|V.1.1 (see below) | |V.1.1 (see below) | ||
|generate | |generate | ||
− | |generate (When | + | |1.1 |
+ | |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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|} | |} | ||
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|+ Announced Software & tools | |+ Announced Software & tools | ||
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− | |''' | + | |'''Software Platform''' |
− | |'''Product/ | + | |'''Product/tool''' |
|'''Developer''' | |'''Developer''' | ||
|'''Operating system''' | |'''Operating system''' | ||
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|'''NMR Record''' | |'''NMR Record''' | ||
|'''Examples of output''' | |'''Examples of output''' | ||
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+ | |TopSpin | ||
+ | |[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse] | ||
|Bruker | |Bruker | ||
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|Windows, Linux and MAC OS X | |Windows, Linux and MAC OS X | ||
|V. ? | |V. ? | ||
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|write | |write | ||
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− | | | + | |Mnova |
− | | | + | |[http://mestrelab.com/software/mnova/nmr/ Mnova NMR] |
− | | | + | |Mestrelab |
+ | |Mac OS, Windows, Linux? | ||
+ | |Announced for Q1 2018 | ||
|? | |? | ||
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− | | | + | |Matlab/Octave |
− | | | + | |NMReDATA_View |
+ | |Damien Jeannerat | ||
+ | |Any system running matalab/octave | ||
+ | |V0 (will be on [https://github.com/NMReDATAInitiative GitHub]) when ready for test | ||
+ | |read | ||
+ | |read | ||
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− | | | + | |- |
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+ | |NOMAD | ||
+ | |Tomas Lebl | ||
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+ | |Firefox/Google Chrome | ||
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+ | |Julien Wist | ||
+ | |Any running Firefox/Google Chrome | ||
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− | | | + | |generate |
− | | | + | |generate |
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− | | | + | |} |
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+ | ==="Comparison of NMReDATA versions (under construction)"=== | ||
+ | <!-- | ||
+ | |||
+ | {| class=wikitable style="width:60%;" align=center | ||
+ | !Content!!V1.1!!V1.2!!V1.3 (Future version under review...) | ||
+ | |- | ||
+ | |author/institution/license information | ||
| | | | ||
| | | | ||
+ | |opt. | ||
|- | |- | ||
+ | |TAGS | ||
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− | | | + | {| role="presentation" class="wikitable mw-collapsible mw-collapsed" |
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+ | |- | ||
+ | | tag1 | ||
+ | |- | ||
+ | | tag2 | ||
+ | |} | ||
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− | | | + | {| role="presentation" class="wikitable mw-collapsible mw-collapsed" |
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− | | | + | |- |
+ | | tag1 | ||
+ | |- | ||
+ | | tag2 | ||
+ | |} | ||
+ | |fg | ||
|- | |- | ||
+ | |v1 | ||
+ | |v2 | ||
+ | |v3 | ||
+ | |v4 | ||
|} | |} | ||
− | + | --!> | |
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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 [https://github.com/NMReDATAInitiative/Mnova_export_script 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. | 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 [https://github.com/NMReDATAInitiative/Mnova_export_script 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. |
Revision as of 10:37, 28 September 2018
This list is tentative - It has not been validated by (all) the authors.
Software Platform | Product/tool | Developer | Operating system | Version | NMReDATA | Supported NMReDATA versions | NMR Record | Examples of output |
nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | generate/write | 1.0 & 1.1 | generate | link |
Javatools GUI and library | see github | Stefan Kuhn | Any Java-enabled | Pre-alpha | generate/write/validate | 1.0 & 1.1 | generate | |
Spectrus using a script | ACD/Labs | Windows | v. 2017.2 and above | generate/write | 1.0 | generate/write | ||
Mnova | Mnova script exporting .mnova files | Damien Jeannerat | Any system running Mnova | V.1.1 (see below) | generate | 1.1 | generate (When spectra are available) | NMR records |
Software Platform | Product/tool | Developer | Operating system | Version | NMReDATA | NMR Record | Examples of output |
TopSpin | CMCse | Bruker | Windows, Linux and MAC OS X | V. ? | write | write | |
Mnova | Mnova NMR | Mestrelab | Mac OS, Windows, Linux? | Announced for Q1 2018 | ? | ||
Matlab/Octave | NMReDATA_View | Damien Jeannerat | Any system running matalab/octave | V0 (will be on GitHub) when ready for test | read | read | |
NOMAD | Tomas Lebl | ||||||
Firefox/Google Chrome | Julien Wist | Any running Firefox/Google Chrome | generate | generate |