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Re: Why is clustering limited up to 10000 molecules? [message #157 is a reply to message #154]

Thu, 03 March 2016 21:49

thomas
Messages: 715
Registered: June 2014

Senior Member

Dear Nikita, the current DataWarrior version is limited to 10.000 compounds. For 100.000 compounds the current algorithm would need 20GB of memory and many hours to finish. The only way to do it would be to patch the datawarrior.jar file (OSX or Linux only) or to change the source code and to recompile.

Regards, Thomas

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[Message index]

		Why is clustering limited up to 10000 molecules? By: Nastasia on Wed, 22 July 2015 16:37
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 23 July 2015 21:40
		Re: Why is clustering limited up to 10000 molecules? By: avkitex on Sun, 28 February 2016 19:03
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 03 March 2016 21:49
		Re: Why is clustering limited up to 10000 molecules? By: avkitex on Thu, 03 March 2016 21:54
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Fri, 04 March 2016 22:24
		Re: Why is clustering limited up to 10000 molecules? By: dataviz on Wed, 22 March 2017 11:34
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Thu, 30 March 2017 20:35
		Re: Why is clustering limited up to 10000 molecules? By: E3ubiquitinligase on Thu, 10 January 2019 21:46
		Re: Why is clustering limited up to 10000 molecules? By: thomas on Fri, 11 January 2019 00:00
		Re: Why is clustering limited up to 10000 molecules? By: E3ubiquitinligase on Fri, 11 January 2019 07:21

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