Dear Members,
I am working with a multi-domain protein with 4 domains. I have two structures, one apo and the other in complex with small molecule inhibitor. When I superposed the two structures in pymol, I can clearly see that domain 1 has been rotated compare to the apo structure.
Can anyone suggest a tool to calculate the domain rotation? It might not be pure rotation. Also what would be the best way to calculate the change in domain-interface area as a result of complex formation with small molecule.
Any suggestion would be very helpful.
Best regards,
Raja
