Dear Ralf, Thanks, that worked perfectly together with the coot given symmetry operation. Imre Ralf W. Grosse-Kunstleve wrote:
Hi Imre,
Thanks for the info. One more question: In half of the DNA the base pairing is between symmetry related bases as the DNA structure (Holliday junction) lies on a two-fold axis. Could it be a problem?
You need to define the symmetry_operation in this case, e.g.:
bond { action = *add atom_selection_1 = resname RXX and name NXX atom_selection_2 = resname RYY and name NYY symmetry_operation = -x,-y,z distance_ideal = 2.8 sigma = 0.1 slack = 0.4 }
A few days ago Marjolein Thunnissen told us about this trick for finding the symmetry_operation:
: Luckily it is actually not that : difficult to find the symmetry operators when using coot. One just has to : switch drawing symmetry atoms on and clicking on a symmetry atom, coot will : tell you in the bottom line which atom it is and which symmetry operator was : used to draw it...
Ralf _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb