Hi! Besides picking from the screen, you can just name the 4 atoms in order in the command, for example angle :181.a@n@ca@c:182.a@n When you use commas (,) the order is not necessarily preserved. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Mar 11, 2008, at 4:29 AM, 吴超 wrote:
Hi, folks! I have a problem about the measurement of torsional angle. In the chimera users' guide about the command angle, as follows, it says that if I select the atoms simultaneously, the order information will get lost. How can I keep the order information since I need it to calculate the angle I want exactly? For example, in the following command I originally want to calculate the n-ca-c-n(182) dihedral, angle :181.a@n,ca,c:182.a@n but in fact what chimera gave me was may be c-ca-n-n(182).
I want to calculate a lot of diheral information so I can not click one by one in the gui mode, I wonder is there any way that I can get what I want . Thanks! -- Chao Wu
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