openmolecules.org

 
Home » DataWarrior » Functionality » What do I do with the entries assigned to multiple categories?
Re: What do I do with the entries assigned to multiple categories? [message #80 is a reply to message #79] Fri, 24 July 2015 14:42 Go to previous messageGo to previous message
Nastasia is currently offline  Nastasia
Messages: 3
Registered: July 2015
Junior Member
I have a number of molecules, some of which are the same. However, they were retrieved from different sources (source is important, so it is a descriptor as well), when I merge them by structure, my descriptors are merged as well, so I have some sort of multiple categories case. And when I build polts I still have some individual cases and all the other entries are assigned to multiple category, and I need my descriptors to be treated separately. Same will happen if I try to merge common scaffolds.
What I need in the end: to be able to order my molecules by similarity, to plot them, and it will be super awesome if I could use common scaffold as markers' label, but not showing all the labels at the same time, more like one label for a group of similar markers.
All in all, I am trying to merge/group structures, but not to loose/merge any descriptors. How can I group them to have them in some categories like: all having the same scaffold1...scaffold100, but not merging them?
I hope I explained it) And thank you.
 
Read Message
Read Message
Read Message
Read Message
Previous Topic: save image as SVG-file
Next Topic: Interactive calculation of statistical parameters like N and stdev
Goto Forum:
  


Current Time: Sat May 11 07:11:52 CEST 2024

Total time taken to generate the page: 0.04758 seconds