openmolecules.org

 
Home » DataWarrior » Cheminformatics » tox predict folder
Re: tox predict folder [message #539 is a reply to message #536] Wed, 17 April 2019 20:11 Go to previous message
thomas is currently offline  thomas
Messages: 646
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
 
Read Message
Read Message
Previous Topic: Flexophore
Next Topic: Self Organizing Maps
Goto Forum:
  


Current Time: Fri Mar 29 14:36:37 CET 2024

Total time taken to generate the page: 0.06684 seconds