openmolecules.org Forum: Functionality » 2D Rubber Band Scaling (RBS)

Home » DataWarrior » Functionality » 2D Rubber Band Scaling (RBS) (chemical space visualization)

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

2D Rubber Band Scaling (RBS) [message #318]

Sat, 07 April 2018 10:25

dataviz
Messages: 5
Registered: November 2016

Junior Member

Hello, do we still have the 2D Rubber Band Scaling (RBS) approach implemented ? I think i did some years ago but I do not find the command on recent version... In the manual I think it is not there..
many thanks

Report message to a moderator

Re: 2D Rubber Band Scaling (RBS) [message #321 is a reply to message #318]

Mon, 09 April 2018 21:59

thomas
Messages: 715
Registered: June 2014

Senior Member

RBS is still part of DataWarrior, but it is called Similarity Analysis there:
http://www.openmolecules.org/help/chemistry.html#SimAnalysis

The activity cliff analysis is the same thing, but also visualizes activity differences divided by dissimilarities (SALI values):
http://www.openmolecules.org/help/chemistry.html#SaliAnalysi s

Thomas

Report message to a moderator

Previous Topic:	calculated props after file merge/append
Next Topic:	openchemlib-js

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Thu Nov 21 21:58:52 CET 2024

Total time taken to generate the page: 0.03185 seconds