Hi, On 4/4/16 6:04 PM, João M. Damas wrote: > formula you present gives "twice" the BSA, depending of the definition
Agreed on all points, except that by my reading of the literature (since the days of Chothia and colleagues, 1970s through this century), the definition for BSA (or more accurately, total BSA) is the surface area buried on both (or all) components. So, Fotis' formula is accurate, in my opinion. CCP4's PISA defines an "interface area" that matches your definition (unfortunately, that term has also been used inconsistently in the literature). Happy to be corrected if I'm wrong on this. For the reasons you have stated on different ways to calculate BSA such as the solvent probe radius, I would use a published package, such as PISA, for calculating BSA (and multiply the "interface area" by two :) ) if I intend to publish that number. Engin ------------------------------------------------------------------------------ _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
