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Re: Globularity [message #1268 is a reply to message #1267]

Tue, 30 March 2021 17:10

thomas
Messages: 648
Registered: June 2014

Senior Member

I made another update with another method to calculate globularity based on the volume and area of the solvent excluded surface (Van der Waals surface). The globularity is the surface of a perfect sphere, whose volume exactly matches the molecule's volume, divided by the real surface of the molecule. In my opinion this is the most reasonable globularity calculation. I also added some documentation and explanation.

Thomas

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[Message index]

		Globularity By: P_Fitz on Wed, 24 March 2021 02:53
		Re: Globularity By: thomas on Wed, 24 March 2021 17:13
		Re: Globularity By: thomas on Fri, 26 March 2021 17:13
		Re: Globularity By: P_Fitz on Sat, 27 March 2021 00:31
		Re: Globularity By: thomas on Tue, 30 March 2021 17:10

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