openmolecules.org Forum: Functionality » Assign cluster name based on cluster size

Home » DataWarrior » Functionality » Assign cluster name based on cluster size

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

Re: Assign cluster name based on cluster size [message #1590 is a reply to message #1589]

Mon, 11 April 2022 17:27

mcmc
Messages: 18
Registered: April 2018

Junior Member

Thanks Norwid. Meanwhile I realized that with the current cluster numbering, similar clusters tend to have adjacent numbers. That is, cluster 404 resembles 405. I guess that has some advantages too.

Also I observed that a SALI analysis provides "neighbor count" which seems to be the same as cluster size (minus 1). That in turn, gives a filter that can be used to zoom in on the most populated clusters.

[Updated on: Mon, 11 April 2022 17:28]

Report message to a moderator

[Message index]

		Assign cluster name based on cluster size By: mcmc on Thu, 07 April 2022 13:46
		Re: Assign cluster name based on cluster size By: nbehrnd on Sat, 09 April 2022 20:29
		Re: Assign cluster name based on cluster size By: mcmc on Mon, 11 April 2022 17:27
		Re: Assign cluster name based on cluster size By: nbehrnd on Fri, 22 April 2022 22:46
		Re: Assign cluster name based on cluster size By: DrCJM on Fri, 05 August 2022 07:46

Previous Topic:	Updating columns
Next Topic:	Find & Replace or alternative for stereoisomers

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Tue May 21 06:46:19 CEST 2024

Total time taken to generate the page: 0.04109 seconds