Hi I have a density map with symmetry C8. I have docked the monomer crystal structure. I was wondering if there is any way I can put crystal structures in rest of the 7 monomers without doing it manually. Thanks for your reply in advance. Andy Dr. Anindito Sen (Ph.D) Research Associate , Dept. of Biochemistry and Molecular Genetics University of Virginia Box 800733 Charlottesville, VA 22908
Hi Andy, If your C8 axis of symmetry is the z axis and (0,0,0) lies on the axis then the attached Python script will make the 8 copies. You have to edit the script to use the correct PDB file name. Then open it with File / Open.... I had to make this a Python script instead of a Chimera command script because there is no Chimera command to set the center of rotation to a specific point. Tom Anindito Sen wrote:
Hi I have a density map with symmetry C8. I have docked the monomer crystal structure. I was wondering if there is any way I can put crystal structures in rest of the 7 monomers without doing it manually.
Thanks for your reply in advance.
Andy
Dr. Anindito Sen (Ph.D) Research Associate , Dept. of Biochemistry and Molecular Genetics University of Virginia Box 800733 Charlottesville, VA 22908 _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
from chimera import runCommand as run, openModels as om, Point # Open copies of monomer. for i in range(8): run('open %d /tmp/1a6dA.pdb' % i) # Set center of rotation. om.cofrMethod = om.Fixed om.cofr = Point(0,0,0) # Rotate monomers about z axis. for i in range(8): run('~select all ; select %d ; turn z %f' % (i, i*45)) # Unfreeze all monomers. run('select all')
participants (2)
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Anindito Sen
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Thomas Goddard