Difference between revisions of "Compatible software"

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This page is under construction...
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This list is tentative - It has not been validated by (all) the authors.
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The list is tentative and was not validated by (all) the authors...
 
  
 
{| class="wikitable"
 
{| class="wikitable"
−
|+ Announced Software & tools  
+
|+ Working software and tools  
 
|-
 
|-
−
|'''Company/Organisation'''
+
|'''Software Platform'''
−
|'''Produkt/Software'''
+
|'''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'''
−
|'''Link'''
+
|'''Documentation'''
 +
|'''License/availability'''
 +
|-
 +
|[https://sourceforge.net/projects/jmol/files/ JSmol]
 +
|[https://NMReDATA.web.uah.es/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 ]]
 +
|[http://creativecommons.org/licenses/by-sa/4.0/ CC BY-SA 4.0]
 +
|-
 +
|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]
 
|-
 
|-
−
|nmrshiftdb2
+
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2]
−
|QuickCheck
+
|[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
−
|write
+
|generate/write
−
|not implemented
+
|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]
−
|[http://nmrshiftdb.nmr.uni-koeln.de/ link]
+
|
 +
|
 
|-
 
|-
−
|Bruker
+
|Javatools
−
|CMCse
+
|see [https://github.com/NMReDATAInitiative/javatools github]
−
|
+
|Stefan Kuhn
−
|Windows, Linux and MAC OS X
+
|Any Java-enabled
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|V. ?
+
|Pre-alpha
−
|write
+
|generate/write/validate
−
|write
+
|1.0 & 1.1
 +
|generate
 
|
 
|
−
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html link]
+
|[https://github.com/NMReDATAInitiative/javatools/wiki]
 +
|LGPL v3.0
 
|-
 
|-
−
|ACD/Lab.
 
 
|Spectrus
 
|Spectrus
 +
|[http://www.acdlabs.com Spectrus] using [http://https://www.acdlabs.com/resources/knowledgebase/macros/ a script]
 +
|ACD/Labs
 +
|Windows
 +
|v. 2017.2 and above
 +
|generate/write
 +
|1.0
 +
|generate/write
 
|
 
|
−
|?
 
−
|V. 2017.2 and later
 
−
|write (?)
 
−
|write (?)
 
 
|
 
|
 
|
 
|
 
|-
 
|-
−
|Mestrelab
 
 
|Mnova
 
|Mnova
 +
|Integrated
 +
|Mestrelab
 +
|Any system running Mnova
 +
|14.1.1
 +
|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
 +
|generate (When spectra are available)
 +
|pending request
 +
|https://github.com/cheminfo/nmredata
 
|
 
|
−
|Mac OS, Windows, Linux?
+
|-
−
|Annonced for Q1 2018
+
|[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
 
|
 
|
 +
|-
 +
|}
 +
 +
 +
 +
 +
{| class="wikitable"
 +
|+ 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 [https://github.com/NMReDATAInitiative GitHub]) when ready for test
 +
|read
 +
|read
 
|
 
|
 
|-
 
|-
 
|
 
|
−
|[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files]
+
|NOMAD
−
|Damien Jeannerat
+
|Tomas Lebl
−
|Any system running Matlab/Octave
 
−
|V.1.1 (see below)
 
−
|write
 
 
|
 
|
 
|
 
|
−
|[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records]
 
−
|-
 
 
|
 
|
−
|Unix script
 
−
|Damien Jeannerat
 
−
|Written to Mac OS could be adapter to other unix systems
 
−
|V.1 (see below)
 
−
|read ->
 
−
|write
 
 
|
 
|
 
|
 
|
 
|-
 
|-
 +
|Firefox/Google Chrome
 +
|
 +
|Julien Wist
 +
|Any running Firefox/Google Chrome
 
|
 
|
−
|Javatools
+
|generate
−
|Stefan Kuhn
+
|generate
−
|Java + CDK
 
−
|  
 
 
|
 
|
−
|read/write
+
|-
 +
|}
 +
 
 +
 
 +
 
 +
==="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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|Matlab/Octave Display record content
+
{| role="presentation" class="wikitable mw-collapsible mw-collapsed"
−
|Damien Jeannerat
 
 
|  
 
|  
 +
|-
 +
| tag1
 +
|-
 +
| tag2
 +
|} 
 
|
 
|
−
|read
+
{| role="presentation" class="wikitable mw-collapsible mw-collapsed"
−
|
+
|  
−
|
+
|-
 +
| 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]. If 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.
 

Latest revision as of 21:34, 17 February 2024

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 CC BY-SA 4.0
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)"

Retrieved from "https://nmredata.org/wiki/index.php?title=Compatible_software&oldid=20022"