Re: defining molecule clusters after similarity analysis [message #1579 is a reply to message #1534] |
Tue, 05 April 2022 15:03 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) ![Go to next message Go to previous message](/forum/theme/myThemeWithHFCSS/images/down.png) |
thomas
Messages: 694 Registered: June 2014
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Senior Member |
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Hi Xènia,
you are not the first to ask for that. Thus, I have updated the similarity/activity-cliff-analysis to generate two more columns: a cluster number and the cluster member count. You can download the updated DataWarrior file (dev version) from the link in the fine-print that appears when clicking the 'read and understood' checkbox on the DataWarrior download page.
Hope this solves the issue for you,
Thomas
[Updated on: Tue, 05 April 2022 15:03] Report message to a moderator
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