openmolecules.org Forum: Functionality » Veiwing PDB Binding Sites in DataWarrior

Home » DataWarrior » Functionality » Veiwing PDB Binding Sites in DataWarrior

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

Veiwing PDB Binding Sites in DataWarrior [message #2371]

Sun, 12 January 2025 20:56

MedChemProf
Messages: 6
Registered: March 2016

Junior Member

Dear All,

There are downloadable files on the Open Molecules website under the section "All Non-Covalent Binding Sites From the PDB-Database (Dec 2024)" where you can view the binding of a ligand to a protein. There is some description of how the file was created, but I have been unable to reproduce it.

Are there any detailed instructions on how to view or add the information from a PDB into DataWarrior to allow similar viewing? Any help woudl be appreciated.

Report message to a moderator

[Message index]

		Veiwing PDB Binding Sites in DataWarrior By: MedChemProf on Sun, 12 January 2025 20:56
		Re: Veiwing PDB Binding Sites in DataWarrior By: nbehrnd on Tue, 14 January 2025 23:30
		Re: Veiwing PDB Binding Sites in DataWarrior By: thomas on Thu, 16 January 2025 11:15

Previous Topic:	Datawarrior Commandline Option to Use Template
Next Topic:	PAINS patterns

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue Nov 18 13:52:58 CET 2025

Total time taken to generate the page: 0.30697 seconds