Re: Globularity [message #1268 is a reply to message #1267] |
Tue, 30 March 2021 17:10 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) |
thomas
Messages: 694 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
|
|
|