Difference between revisions of "Compatible software"

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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.
 
  
 
{| 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'''
 
|'''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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|generate
 
|generate
 
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link]
 
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link]
 +
|
 +
|
 
|-
 
|-
|Javatools GUI and library
+
|Javatools  
 
|see [https://github.com/NMReDATAInitiative/javatools github]
 
|see [https://github.com/NMReDATAInitiative/javatools github]
 
|Stefan Kuhn  
 
|Stefan Kuhn  
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|generate
 
|generate
 
|
 
|
 +
|[https://github.com/NMReDATAInitiative/javatools/wiki]
 +
|LGPL v3.0
 
|-
 
|-
|[http://www.acdlabs.com ACD/Labs]
+
|Spectrus
|Spectrus using [http://https://www.acdlabs.com/resources/knowledgebase/macros/ this script]
+
|[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 and above
 
|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)
 +
|[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)
 
|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
 +
|
 
|-
 
|-
 
|}
 
|}
[[File:acd.png]]
+
 
 +
 
 +
 
  
 
{| class="wikitable"
 
{| class="wikitable"
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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'''
|-
 
|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
 
|Mnova

Revision as of 20:19, 13 November 2020

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 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



Announced Software & tools
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


"Comparison of NMReDATA versions (under construction)"