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missing entry tautobase [message #1288] Wed, 12 May 2021 13:39 Go to next message
nbehrnd is currently offline  nbehrnd
Messages: 76
Registered: June 2019
Member
Dear Thomas,

versions prior to 5.5.0 (Linux) of DataWarrior included the database about tautomers, tautobase.[1] At present, this entry is missing; neither the standard installation, nor the «fine print» / development version (by 2021-05-11) contain / retain it.

If the authors of this database agree, I would like to suggest that this either is a) re-added, or b) mentioned again on the site about the data files.[2]

Norwid

[1] https://github.com/WahlOya/Tautobase/blob/master/Tautobase.d war
[2] https://openmolecules.org/datawarrior/datafiles.html
Re: missing entry tautobase [message #1293 is a reply to message #1288] Tue, 18 May 2021 20:22 Go to previous messageGo to next message
thomas is currently offline  thomas
Messages: 431
Registered: June 2014
Senior Member
Dear Norwid,

which platform do you refer to. I checked the Linux installer, which contains it. The scripts for Windows and MacOS also seem to contain the file. I didn't actually make a fresh installation on Windows and MacOS to verify, though. The file was never on the https://openmolecules.org/datawarrior/datafiles.html page and in not part of the development update anymore, because it is supposed to be part of the 5.5.0 standard installation.

Best wishes,

Thomas
Re: missing entry tautobase [message #1295 is a reply to message #1293] Thu, 20 May 2021 23:10 Go to previous message
nbehrnd is currently offline  nbehrnd
Messages: 76
Registered: June 2019
Member
Dear Thomas,

indeed tautobase is present in the program (version 5.5.0 for Linux). My error was check along the GUI entry of Database only. However, the compilation is accessible via File -> Open Reference File -> tautobase_jan2020.dwar.

Thank you,

Norwid
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