openmolecules.org Forum: Functionality

Home » DataWarrior » Functionality » ChemAxon plugin (Activation of ChemAxon into DW )

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

Re: ChemAxon plugin [message #1501 is a reply to message #1494]

Thu, 10 February 2022 10:08

thomas
Messages: 729
Registered: June 2014

Senior Member

Hello Christophe,

you can search this forum for 'capka' and find some posts. I did it myself about 15 years ago and suspect that the same procedure should work also with the current ChemAxon pKa plugin, but since I don't have the current plugin, I cannot confirm this. Basically, you have to unpack all jar files into one directory and then repack everything from that directory into a new 'capka.jar' file. You also have to put the license file where the license code can find it.

If you want, you can contact me offline to work together on creating a reproducible procedure, e.g. a bash script doing the entire conversion, which we could publish afterwards on this forum for others to re-use.

Thomas

Report message to a moderator

[Message index]

		ChemAxon plugin By: Christophe on Thu, 03 February 2022 12:19
		Re: ChemAxon plugin By: thomas on Thu, 10 February 2022 10:08
		Re: ChemAxon plugin By: timritchie on Mon, 21 February 2022 13:16
		Re: ChemAxon plugin By: timritchie on Mon, 21 February 2022 13:19
		Re: ChemAxon plugin By: nbehrnd on Tue, 22 February 2022 22:03
		Re: ChemAxon plugin By: Christophe on Tue, 01 March 2022 13:00
		Re: ChemAxon plugin By: thomas on Fri, 04 March 2022 19:49
		Re: ChemAxon plugin By: timritchie on Thu, 17 March 2022 11:41
		Re: ChemAxon plugin By: timritchie on Fri, 18 March 2022 16:56
		Re: ChemAxon plugin By: timritchie on Sat, 19 March 2022 09:57
		Re: ChemAxon plugin By: mlmiranda on Mon, 28 March 2022 18:14
		Re: ChemAxon plugin By: Christophe on Wed, 30 March 2022 10:23
		Re: ChemAxon plugin By: thomas on Mon, 27 June 2022 12:02
		Re: ChemAxon plugin By: Flammable on Thu, 01 December 2022 16:01
		Re: ChemAxon plugin By: thomas on Thu, 01 December 2022 20:06

Previous Topic:	Nasty functions
Next Topic:	maximum number of bins/categories for bar charts

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Thu Apr 17 20:14:05 CEST 2025

Total time taken to generate the page: 0.00718 seconds