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20 Feb
2013
20 Feb
'13
11:51 a.m.
Hi everyone, I wonder what would it take to write an equivalent to pdb_shake script from iotbx/examples with randomization of the backbone dihedral angles phi and psi, instead of all coordinates perturbation? I want to be able to randomize models in a more "realistic" way. Are there data structures/procedures that can be useful for this in cctbx, or should I extract the coordinates and take it from there? Thanks! Kind regards, Dmytro.