Difference between revisions of "Compatible software"
From NMReDATA
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This list is tentative - It has not been validated by (all) the authors. | This list is tentative - It has not been validated by (all) the authors. | ||
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{| class="wikitable" | {| class="wikitable" | ||
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|'''Product/tool''' | |'''Product/tool''' | ||
|'''Developer''' | |'''Developer''' | ||
− | |'''Operating system''' | + | |'''Language/Operating system''' |
− | |'''Version''' | + | |<abbr title="Version of the .sdf format">'''Version'''</abbr> |
|'''NMReDATA''' | |'''NMReDATA''' | ||
+ | |'''Supported NMReDATA versions''' | ||
|'''NMR Record''' | |'''NMR Record''' | ||
|'''Examples of output''' | |'''Examples of output''' | ||
+ | |'''Documentation''' | ||
+ | |'''License/availability''' | ||
+ | |- | ||
+ | |[https://sourceforge.net/projects/jmol/files/ JSmol] | ||
+ | |[http://www3.uah.es/nmr_e_data/reader/reader.htm J_reader] | ||
+ | |Angel Herráez | ||
+ | |JavaScript | ||
+ | |V 1.0 | ||
+ | |Visualize/edit tags, generate/edit 3D structures | ||
+ | |2.0 | ||
+ | |Read/Add Files/Write | ||
+ | |pending... | ||
+ | |[[Jreader | main features ]] | ||
+ | | | ||
+ | |- | ||
+ | |Tospin | ||
+ | |CMC-se Included in the freee Topspin licence for academia | ||
+ | |Bruker Biospin | ||
+ | |Any system running Topspin | ||
+ | |V 4.0.8 | ||
+ | |read/write | ||
+ | |1.1 | ||
+ | |Write | ||
+ | |pending | ||
+ | |CMC-se manual | ||
+ | |[https://www.bruker.com/service/support-upgrades/software-downloads/nmr/free-topspin-processing/nmr-topspin-license-for-academia.html] | ||
|- | |- | ||
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | |[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2] | ||
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|Web browser | |Web browser | ||
|4.1.12 | |4.1.12 | ||
+ | |generate/write | ||
+ | |1.0 & 1.1 | ||
|generate | |generate | ||
− | |||
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | |[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link] | ||
+ | | | ||
+ | | | ||
|- | |- | ||
− | |Javatools | + | |Javatools |
|see [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 | ||
| | | | ||
+ | |[https://github.com/NMReDATAInitiative/javatools/wiki] | ||
+ | |LGPL v3.0 | ||
|- | |- | ||
− | | | + | |Spectrus |
− | |Spectrus | + | |[http://www.acdlabs.com Spectrus] using [http://https://www.acdlabs.com/resources/knowledgebase/macros/ a script] |
|ACD/Labs | |ACD/Labs | ||
|Windows | |Windows | ||
− | |v. 2017.2 | + | |v. 2017.2 and above |
|generate/write | |generate/write | ||
+ | |1.0 | ||
|generate/write | |generate/write | ||
+ | | | ||
+ | | | ||
+ | | | ||
+ | |- | ||
+ | |Mnova | ||
+ | |Export option | ||
+ | |Mestrelab | ||
+ | |Any system running Mnova | ||
+ | |V.1 | ||
+ | |generate | ||
+ | |1.1 | ||
+ | |write (reading - underdevelopement) | ||
+ | |pending... | ||
| | | | ||
|- | |- | ||
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|V.1.1 (see below) | |V.1.1 (see below) | ||
|generate | |generate | ||
+ | |1.1 | ||
|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] | ||
+ | | | ||
+ | | | ||
+ | |- | ||
+ | |[https://github.com/cheminfo cheminfo] | ||
+ | |[https://github.com/cheminfo/nmredata nmredata] | ||
+ | |Alejandro Bolaños Julien Wist | ||
+ | |Javascript node module | ||
+ | |V? | ||
+ | |read/write? | ||
+ | |1.1 | ||
+ | |generate (When spectra are available) | ||
+ | |pending request | ||
+ | |https://github.com/cheminfo/nmredata | ||
+ | | | ||
+ | |- | ||
+ | |[https://cocon-nmr.de/ WebCocon] | ||
+ | |Export option | ||
+ | |Jochen Junker | ||
+ | |Web browser | ||
+ | |V? | ||
+ | |write | ||
+ | |1.1 | ||
+ | |n/a | ||
+ | |pending request | ||
+ | |https://cocon-nmr.de/media/files/Manual.pdf | ||
+ | | | ||
|- | |- | ||
|} | |} | ||
+ | |||
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|'''Product/tool''' | |'''Product/tool''' | ||
|'''Developer''' | |'''Developer''' | ||
− | |'''Operating system''' | + | |'''Language/Operating system''' |
|'''Version''' | |'''Version''' | ||
|'''NMReDATA''' | |'''NMReDATA''' | ||
|'''NMR Record''' | |'''NMR Record''' | ||
|'''Examples of output''' | |'''Examples of output''' | ||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
− | |||
|- | |- | ||
|Mnova | |Mnova | ||
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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 | ||
+ | | | ||
+ | {| role="presentation" class="wikitable mw-collapsible mw-collapsed" | ||
+ | | | ||
+ | |- | ||
+ | | tag1 | ||
+ | |- | ||
+ | | tag2 | ||
+ | |} | ||
+ | | | ||
+ | {| role="presentation" class="wikitable mw-collapsible mw-collapsed" | ||
+ | | | ||
+ | |- | ||
+ | | tag1 | ||
+ | |- | ||
+ | | tag2 | ||
+ | |} | ||
+ | |fg | ||
+ | |- | ||
+ | |v1 | ||
+ | |v2 | ||
+ | |v3 | ||
+ | |v4 | ||
+ | |} | ||
+ | |||
+ | --!> | ||
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 20:19, 13 November 2020
This list is tentative - It has not been validated by (all) the authors.
Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | Supported NMReDATA versions | NMR Record | Examples of output | Documentation | License/availability |
JSmol | J_reader | Angel Herráez | JavaScript | V 1.0 | Visualize/edit tags, generate/edit 3D structures | 2.0 | Read/Add Files/Write | pending... | main features | |
Tospin | CMC-se Included in the freee Topspin licence for academia | Bruker Biospin | Any system running Topspin | V 4.0.8 | read/write | 1.1 | Write | pending | CMC-se manual | [1] |
nmrshiftdb2 | QuickCheck | Stefan Kuhn | Web browser | 4.1.12 | generate/write | 1.0 & 1.1 | generate | link | ||
Javatools | see github | Stefan Kuhn | Any Java-enabled | Pre-alpha | generate/write/validate | 1.0 & 1.1 | generate | [2] | LGPL v3.0 | |
Spectrus | Spectrus using a script | ACD/Labs | Windows | v. 2017.2 and above | generate/write | 1.0 | generate/write | |||
Mnova | Export option | Mestrelab | Any system running Mnova | V.1 | generate | 1.1 | write (reading - underdevelopement) | pending... | ||
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 | ||
cheminfo | nmredata | Alejandro Bolaños Julien Wist | Javascript node module | V? | read/write? | 1.1 | generate (When spectra are available) | pending request | https://github.com/cheminfo/nmredata | |
WebCocon | Export option | Jochen Junker | Web browser | V? | write | 1.1 | n/a | pending request | https://cocon-nmr.de/media/files/Manual.pdf |
Software Platform | Product/tool | Developer | Language/Operating system | Version | NMReDATA | NMR Record | Examples of output |
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 |