openmolecules.org

 
Home » DataWarrior » Bug Reports » DW 5.0 Enumerate library reactant selection disabled (I am trying to enumerate a library and DW does not accept any reactants.)
DW 5.0 Enumerate library reactant selection disabled [message #714] Thu, 05 December 2019 23:50 Go to next message
P_Fitz
Messages: 17
Registered: November 2019
Junior Member
I am trying to enumerate a library. The reaction I want is simple. All I want to do is convert Carboxylic acids to methyl amides. I have attached the reaction file. When I go to select the reactants however, I cannot add any because there is no popup window. Dragging a .csv with the smiles, or a .dwar file also does not allow me to select reactants.

I am using DW 5.0. I also updated some of the files when I was trying to use the diverse set funciton. I am currently working on MAC high sierra 10.13.6. I will also try to see if the issue exists on windows later today.
Re: DW 5.0 Enumerate library reactant selection disabled [message #717 is a reply to message #714] Fri, 06 December 2019 19:33 Go to previous message
P_Fitz
Messages: 17
Registered: November 2019
Junior Member
Woops I figured it out. I didn't realize that you had to right click in the box to add data files. It is less intuitive now than when there was an add files button. The suggest from enamine is sort of interesting. It would be nice if that had more filters you could apply.

Thanks for supporting Data warrior. It is awesome!
Previous Topic: Enabling filter/plot views
Next Topic: Conformer Generation - Uncaught Exception
Goto Forum:
  


Current Time: Thu Mar 28 22:28:46 CET 2024

Total time taken to generate the page: 0.08349 seconds