Difference between revisions of "Compatible software"

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This page is under construction...  
+
This list is tentative - It has not been validated by (all) the authors.
  
The list is tentative and was not validated by (all) the authors...
 
  
 
{| class="wikitable"
 
{| class="wikitable"
|+ Announced Software & tools  
+
|+ Working software and tools  
 
|-
 
|-
 
|'''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'''
|'''Link'''
 
 
|-
 
|-
 
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2]
 
|[http://nmrshiftdb.nmr.uni-koeln.de/ nmrshiftdb2]
|QuickCheck (add a link direct to the quickcheck page here...)
+
|[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''
+
|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]
|
 
 
|-
 
|-
 
|Javatools GUI and library
 
|Javatools GUI and library
|[https://github.com/NMReDATAInitiative/javatools github]The_name_of_the_soft?
+
|see [https://github.com/NMReDATAInitiative/javatools github]
 
|Stefan Kuhn  
 
|Stefan Kuhn  
 
|Any Java-enabled
 
|Any Java-enabled
 
|Pre-alpha  
 
|Pre-alpha  
|read/write/validate
+
|generate/write/validate
|not implemented
+
|1.0 & 1.1
|
+
|generate
 
|
 
|
 
|-
 
|-
|
+
|[[File:acd.jpg|border|center]]
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse]
+
|[http://www.acdlabs.com Spectrus] using [http://https://www.acdlabs.com/resources/knowledgebase/macros/ a script]
|Bruker
+
|ACD/Labs
|Windows, Linux and MAC OS X
+
|Windows
|V. ?
+
|v. 2017.2 and above
|write
+
|generate/write
|write
+
|1.0
|
+
|generate/write
 
|
 
|
 
|-
 
|-
|ACD/Lab.
 
|Spectrus
 
|
 
|?
 
|V. 2017.2 and later
 
|write (?)
 
|write (?)
 
|
 
|
 
|-
 
|Mestrelab
 
 
|Mnova
 
|Mnova
|
+
|[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files]
|Mac OS, Windows, Linux?
 
|Announced for Q1 2018
 
|?
 
|
 
|
 
|
 
|-
 
|Matlab/Octave
 
|[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script]exporting .mnova files
 
 
|Damien Jeannerat
 
|Damien Jeannerat
|Any system running Matalb/Octave
+
|Any system running Mnova
 
|V.1.1 (see below)
 
|V.1.1 (see below)
 
|generate
 
|generate
|generate (When original spectra are accessible)
+
|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]
|
 
|-
 
|Unix
 
|Convert NMReDATA into NMR Records (add spectra)
 
|Damien Jeannerat
 
|Written for Mac OS could be adapter to other unix systems
 
|V.1 (see below)
 
|read ->
 
|generate
 
|
 
|
 
|-
 
|Matlab/Octave
 
|NMReDATA_View
 
|Damien Jeannerat
 
|
 
|
 
|read
 
|read
 
|
 
 
|-
 
|-
 
|}
 
|}
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|+ Announced Software & tools  
 
|+ Announced Software & tools  
 
|-
 
|-
|'''Company/Organisation'''
+
|'''Software Platform'''
|'''Product/Software'''
+
|'''Product/tool'''
 
|'''Developer'''
 
|'''Developer'''
 
|'''Operating system'''
 
|'''Operating system'''
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|'''NMR Record'''
 
|'''NMR Record'''
 
|'''Examples of output'''
 
|'''Examples of output'''
|'''Link'''
 
|-
 
|nmrshiftdb2
 
|QuickCheck
 
|Stefan Kuhn
 
|Web browser
 
|4.1.12
 
|write
 
|not implemented
 
|[https://nmrshiftdb2.sourceforge.io/quickcheck4.1.12.nmredata.sd link]
 
|[http://nmrshiftdb.nmr.uni-koeln.de/ web application]
 
|-
 
|
 
|Javatools GUI and library
 
|Stefan Kuhn
 
|Any Java-enabled
 
|Pre-alpha
 
|read/write/validate
 
|not implemented
 
|
 
|[https://github.com/NMReDATAInitiative/javatools github]
 
 
|-
 
|-
 +
|TopSpin
 +
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html CMCse]
 
|Bruker
 
|Bruker
|CMCse
 
|
 
 
|Windows, Linux and MAC OS X
 
|Windows, Linux and MAC OS X
 
|V. ?
 
|V. ?
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|write
 
|write
 
|
 
|
|[https://www.bruker.com/products/mr/nmr/nmr-software/nmr-software/complete-molecular-confidence.html link]
 
 
|-
 
|-
|ACD/Lab.
+
|Mnova
|Spectrus
+
|[http://mestrelab.com/software/mnova/nmr/ Mnova NMR]
|
+
|Mestrelab
 +
|Mac OS, Windows, Linux?
 +
|Announced for Q1 2018
 
|?
 
|?
|V. 2017.2 and later
 
|write (?)
 
|write (?)
 
 
|
 
|
 
|
 
|
 
|-
 
|-
|Mestrelab
+
|Matlab/Octave
|Mnova
+
|NMReDATA_View
 +
|Damien Jeannerat
 +
|Any system running matalab/octave
 +
|V0 (will be on [https://github.com/NMReDATAInitiative GitHub]) when ready for test
 +
|read
 +
|read
 
|
 
|
|Mac OS, Windows, Linux?
+
|-
|Announced for Q1 2018
 
|?
 
 
|
 
|
 +
|NOMAD
 +
|Tomas Lebl
 
|
 
|
 
|
 
|
|-
 
 
|
 
|
|[https://github.com/NMReDATAInitiative/Mnova_export_script Mnova script exporting .mnova files]
 
|Damien Jeannerat
 
|Any system running Matlab/Octave
 
|V.1.1 (see below)
 
|write
 
 
|
 
|
 
|
 
|
|[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records]
 
 
|-
 
|-
 +
|Firefox/Google Chrome
 +
|
 +
|Julien Wist
 +
|Any running Firefox/Google Chrome
 
|
 
|
|Unix script
+
|generate
|Damien Jeannerat
+
|generate
|Written to Mac OS could be adapter to other unix systems
+
|
|V.1 (see below)
+
|-
|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
 
|
 
|
|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
 
|}
 
|}
  
 
+
--!>
 
  
 
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.


Working software and tools
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
Acd.jpg
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


Announced Software & tools
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


"Comparison of NMReDATA versions (under construction)"