openmolecules.org Forum: Functionality » Display Full Similarity Matrix

Home » DataWarrior » Functionality » Display Full Similarity Matrix

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

Re: Display Full Similarity Matrix [message #144 is a reply to message #143]

Mon, 11 January 2016 22:01

caius
Messages: 2
Registered: January 2016

Junior Member

I was able to approximate matrix output using macros and the calculated column generation, but the results from chemsim(Flexophore_of_Structure, idcode) don't match the Structure Similarity values available in the similarity chart or the Structure[Structure List, Similarity] filter. For instance, use of chemsim does not yield a self similarity score of 1. Is there any way to get the outputs of "Structure Similarity" or "Structure (is similar to Flexophore)" into the table?

Report message to a moderator

[Message index]

		Display Full Similarity Matrix By: caius on Thu, 07 January 2016 19:20
		Re: Display Full Similarity Matrix By: thomas on Sun, 10 January 2016 23:45
		Re: Display Full Similarity Matrix By: caius on Mon, 11 January 2016 22:01
		Re: Display Full Similarity Matrix By: thomas on Fri, 15 January 2016 22:45

Previous Topic:	How to avoid shuffling of columns after importing?
Next Topic:	Drawing Multi-step reaction schemes.

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Fri Nov 22 09:17:21 CET 2024

Total time taken to generate the page: 0.04107 seconds