openmolecules.org Forum: Cheminformatics » Use of calculated column functions

Home » DataWarrior » Cheminformatics » Use of calculated column functions

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

Re: Use of calculated column functions [message #816 is a reply to message #815]

Thu, 12 March 2020 11:43

sansun
Messages: 50
Registered: April 2019

Member

Thanks a lot.

However, with your example molecules with Mwt = 80 are labelled as 0 but all others are labelled as 1.

My problem is slightly different. For example, I want '1' only for the molecules with Mwt > 100.

I don't want any value (or want some distinct value e.g. '3' Wink

for molecules with Mwt between 80-100.

I am trying to find other ways. Let me know if you get some idea.

Thanks again!

Report message to a moderator

[Message index]

		Use of calculated column functions By: sansun on Wed, 11 March 2020 11:09
		Re: Use of calculated column functions By: nbehrnd on Wed, 11 March 2020 22:25
		Re: Use of calculated column functions By: sansun on Thu, 12 March 2020 11:43
		Re: Use of calculated column functions By: nbehrnd on Thu, 12 March 2020 22:03
		Re: Use of calculated column functions By: thomas on Wed, 18 March 2020 19:19
		Re: Use of calculated column functions By: sansun on Sun, 10 May 2020 06:00

Previous Topic:	SureChEMBL
Next Topic:	Suggested addition: mirror access to Tautobase.dwar

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue Jul 29 16:32:38 CEST 2025

Total time taken to generate the page: 0.12403 seconds