This is not an ERROR message. It is a WARNING: Once the principal Euler angle (or kappa) of the rotation angle relating the domains
deviates significantly from a (pseudo)dyad, the interpretation of the kappa angle becomes somewhat obscure. The program kindly advises you of that fact and places the responsibility of interpretation into your hands. BR From: CCP4 bulletin board [mailto:[email protected]] On Behalf Of tarique khan Sent: Wednesday, January 13, 2010 4:45 AM To: [email protected] Subject: [ccp4bb] problem in calculation of elbow angle. Dear all, I am trying to calculate elbow angle of my fab structure using a online software developed by Robyn L. Stanfield et. al. but it is giving a solution with the following errors. WARNING: rotation matrix contains significant additional contributions WARNING: and deviates significantly from a pseudo-twofold 0.721 WARNING: rotation matrix contains significant additional contributions WARNING: and deviates significantly from a pseudo-twofold : 0.726 WARNING: there have been deviations from expected values - please read the log above!) No guarantee that the calulated elbow angle is meaningful The Elbow angle is probably 174.5 deg. Kindly suggest some other way of accurately, calculating elbow angle. regards. Tarique khan
