openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » DW as a KNIME Plugin (KNIME)

Show: Today's Messages :: Polls :: Message Navigator

DW as a KNIME Plugin [message #1504]

Thu, 10 February 2022 11:47

richards99
Messages: 42
Registered: May 2020
Location: UK

Member

IS there any chance of DataWarrior being accessible as a KNIME plugin so you can quickly view and manipulate data via the DataWarrior interface using a KNIME node.

This would be really quite powerful.

Simon

Report message to a moderator

Re: DW as a KNIME Plugin [message #1506 is a reply to message #1504]

Fri, 11 February 2022 17:49

thomas
Messages: 715
Registered: June 2014

Senior Member

Entire DataWarrior as a Knime-Node is probably not feasible, but I expect OpenChemLib based Knime nodes to be publicly released very soon, which would include a node to write a dwar in a Knime workflow.

Report message to a moderator

Re: DW as a KNIME Plugin [message #1779 is a reply to message #1506]

Wed, 30 November 2022 11:28

richards99
Messages: 42
Registered: May 2020
Location: UK

Member

Has there been any progress on the KNIME-DW nodes, I am eagerly anticipating Smile

Simon.

Report message to a moderator

Re: DW as a KNIME Plugin [message #1784 is a reply to message #1779]

Thu, 01 December 2022 20:12

thomas
Messages: 715
Registered: June 2014

Senior Member

Unfortunately, it is not in my hands...

Report message to a moderator

Re: DW as a KNIME Plugin [message #1837 is a reply to message #1784]

Fri, 03 February 2023 15:03

wsmts
Messages: 6
Registered: February 2023

Junior Member

I'm using the "External Tool (Labs)" node to do exactly this. You can have the node generate an SDF to a fixed location, launch dw with a macro as command line parameter, and open the sdf using this macro.

I hope this makes sense.

--
Wim

Report message to a moderator

Previous Topic:	Copy and Paste 3D Pose
Next Topic:	Docking score and Datawarrior

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sun Nov 24 05:48:28 CET 2024

Total time taken to generate the page: 0.03917 seconds