openmolecules.org Forum: Functionality » Docking score and Datawarrior

Home » DataWarrior » Functionality » Docking score and Datawarrior

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

Re: Docking score and Datawarrior [message #1809 is a reply to message #1799]

Tue, 17 January 2023 15:05

Jo W
Messages: 37
Registered: July 2021

Member

Within the "dock structures into protein cavity" feature, is it possible to include the ability to export a protein/ligand docking as a pdb or sdf file / Mol filer ( ideally all three) after docking in DW?– this does not seem possible at the moment and would be very useful for example for looking in more detail within an external 3D visualization software such as Pymol.

Report message to a moderator

[Message index]

		Docking score and Datawarrior By: Jo W on Fri, 23 December 2022 14:23
		Re: Docking score and Datawarrior By: nbehrnd on Thu, 29 December 2022 10:46
		Re: Docking score and Datawarrior By: Jo W on Wed, 04 January 2023 15:35
		Re: Docking score and Datawarrior By: Jo W on Tue, 17 January 2023 15:05
		Re: Docking score and Datawarrior By: juliocoll on Fri, 03 February 2023 13:24
		Re: Docking score and Datawarrior By: Jo W on Sat, 04 February 2023 19:22

Previous Topic:	DW as a KNIME Plugin
Next Topic:	List Membership Filter

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Thu Mar 19 12:32:55 CET 2026

Total time taken to generate the page: 0.00709 seconds