openmolecules.org Forum: Functionality » LLE column doesn't update with new compound data

Home » DataWarrior » Functionality » LLE column doesn't update with new compound data

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

LLE column doesn't update with new compound data [message #92]

Wed, 12 August 2015 02:46

mvamos
Messages: 24
Registered: January 2015
Location: US

Junior Member

The LLE calculation column didn't update for me when I added new data. I merged in new IC50 data on which the LLE calculation is based. The structures for the compounds were already present and I merged the .csv file containing the IC50 data.

If I go again through Chemistry>Add Compound Properties>LE & Tox>LLE to add a new column (now appended with a 2 at the end because it's a duplicate of the previous), the values for the new data populate correctly.

In the attached photo, you can see the original LLE column on the left, and the 2nd LLE on the right.

Perhaps this is a small bug?

Attachment: Untitled.png
(Size: 16.41KB, Downloaded 1089 times)

Report message to a moderator

[Message index]

		LLE column doesn't update with new compound data By: mvamos on Wed, 12 August 2015 02:46
		Re: LLE column doesn't update with new compound data By: thomas on Fri, 14 August 2015 07:41
		Re: LLE column doesn't update with new compound data By: Christoph on Tue, 30 May 2017 01:49
		Re: LLE column doesn't update with new compound data By: thomas on Fri, 02 June 2017 22:41
		Re: LLE column doesn't update with new compound data By: Christoph on Mon, 05 June 2017 17:18

Previous Topic:	Rendering structures from SMILES
Next Topic:	Option to freeze columns and rows.

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sat Apr 05 08:17:01 CEST 2025

Total time taken to generate the page: 0.00645 seconds