Hello, While there is no ready-to-use buried surface area (BSA) calculation command, it is extremely easy to do it yourself. Just calculate the accessible surface area (ASA) values (see the Get_Area command on how to do that: http://www.pymolwiki.org/index.php/Get_Area) for the entire complex and its isolated components and then simply do a subtraction. e.g., for two proteins A and B, that form a protein-protein complex, AB, the contact surface area would be:
BSA = ASA(A) + ASA(B) - ASA(AB) For the angle, try installing the psico module ( http://www.pymolwiki.org/index.php/Psico). It introduces a number of geometry related functions, including one called "angle_between_domains", which basically does what the name says. 2016-04-04 12:24 GMT+03:00 Smith Liu <smith_liu...@163.com>: > Dear All, > > Will you please tell me the command to calculate the contact surface area > between 2 sub-units in the protein complex? Will you please also tell me > the command to calculate the angle in degree between 2 domains in a > sub-unit? > > Smith > > > > > > > > > ------------------------------------------------------------------------------ > > _______________________________________________ > 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 >
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