Difference between revisions of "Compatible software"

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|'''Examples of output'''
 
|'''Examples of output'''
 
|'''Documentation'''
 
|'''Documentation'''
 +
|'''License/availability'''
 
|-
 
|-
 
|[https://sourceforge.net/projects/jmol/files/ JSmol]
 
|[https://sourceforge.net/projects/jmol/files/ JSmol]
|[http://www3.uah.es/nmr_e_data/reader/reader.htm J-reader]
+
|[http://www3.uah.es/nmr_e_data/reader/reader.htm J_reader]
|Angel Herraez
+
|Angel Herráez
 
|JavaScript
 
|JavaScript
|V 14.29.54
+
|V 1.0
 
|Visualize/edit tags, generate/edit 3D structures
 
|Visualize/edit tags, generate/edit 3D structures
 
|2.0
 
|2.0
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|pending...
 
|pending...
 
|[[Jreader |  main features ]]
 
|[[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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|generate
 
|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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|generate
 
|generate
 
|
 
|
|
+
|[https://github.com/NMReDATAInitiative/javatools/wiki]
 +
|LGPL v3.0
 
|-
 
|-
 
|Spectrus
 
|Spectrus
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|1.0  
 
|1.0  
 
|generate/write
 
|generate/write
 +
|
 
|
 
|
 
|
 
|
 
|-
 
|-
 
|Mnova
 
|Mnova
|[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files]
+
|Integrated
|Damien Jeannerat
+
|Mestrelab
 
|Any system running Mnova
 
|Any system running Mnova
|V.1.1 (see below)
+
|14.1.1
|generate
+
|read/write
 +
|1.1
 +
|read/write
 +
|[https://dx.doi.org/10.22000/451 example]
 +
|Commercial, campus licence
 +
|-
 +
|[https://github.com/cheminfo cheminfo]
 +
|[https://github.com/cheminfo/nmredata nmredata]
 +
|Alejandro Bolaños Julien Wist
 +
|Javascript node module
 +
|V?
 +
|read/write?
 
|1.1
 
|1.1
 
|generate (When spectra are available)
 
|generate (When spectra are available)
|[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records]
+
|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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|'''NMR Record'''
 
|'''NMR Record'''
 
|'''Examples of output'''
 
|'''Examples of output'''
|-
 
|TopSpin
 
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse]
 
|Bruker
 
|Windows, Linux and MAC OS X
 
|V. ?
 
|write
 
|write
 
|
 
|-
 
|Mnova
 
|[http://mestrelab.com/software/mnova/nmr/ Mnova NMR]
 
|Mestrelab
 
|Mac OS, Windows, Linux?
 
|Announced for Q1 2018
 
|?
 
|
 
|
 
 
|-
 
|-
 
|Matlab/Octave
 
|Matlab/Octave

Latest revision as of 15:27, 30 November 2021

This list is tentative - It has not been validated by (all) the authors.

Working software and tools
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 Integrated Mestrelab Any system running Mnova 14.1.1 read/write 1.1 read/write example Commercial, campus licence
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



Announced Software & tools
Software Platform Product/tool Developer Language/Operating system Version NMReDATA NMR Record Examples of output
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


"Comparison of NMReDATA versions (under construction)"