openmolecules.org Forum: Cheminformatics

Home » DataWarrior » Cheminformatics » tox predict folder

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

tox predict folder [message #536]

Wed, 17 April 2019 00:03

pc419714@ohio.edu
Messages: 20
Registered: February 2019

Junior Member

I tried opening the files in the tox predict folder of data warrior but for some reason data warrior will not let me view the fragments. From my understanding these are the fragments that are used to calculate tumorgenicity, mutagenicity, and developmental effect. Is there any way to view these?

Report message to a moderator

Re: tox predict folder [message #539 is a reply to message #536]

Wed, 17 April 2019 20:11

thomas
Messages: 744
Registered: June 2014

Senior Member

For txt files DataWarrior needs a first line to contain TAB separated column names. The column that contains the encoded structure (called idcodes) must be named 'idcode' or it should end with ' [idcode]' for DataWarrior to show structure. dwar files, the native DataWarrior files' are much more flexible, but also much more complicated. Thus, keep/use the 'txt' extention and make sure that you have the key word 'idcode' in the first line and correct column.

Thomas

Report message to a moderator

Previous Topic:	Flexophore
Next Topic:	Self Organizing Maps

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Mar 30 12:17:34 CEST 2026

Total time taken to generate the page: 0.00447 seconds