But that function should already be implemented in the green flags that I get in the accept refinement dialog, no?
On Sun, May 19, 2019, 7:19 PM Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > On 19/05/2019 21:40, Ahmad Khalifa wrote: > > Hello, > > > > I want to write a script that does the following: > > > > for a bunch of chains and atom numbers: > > go to chain letter and atom number > > do sphere refinement > > This should get you started: > > imol = 0 > residue_list = [["A", 10, ""], ["A", 20, ""], ["A", 30, ""], ["A", 40, > ""]] # for example > > set_undo_molecule(imol) > for rs in residue_list: > rnr = residues_near_residue(imol, rs, 4.2) > rset = rnr + rs > distortion_pre = residues_distortions_py(imol, rset) > with_auto_accept([refine_residues, imol, rset]) > distortion_post = residues_distortions_py(imol, rset) > if post_model_is_better_model(distortion_pre, distortion_post): > pass > else: > apply_undo() > > Have fun writing the post_model_is_better_model() function > > Paul. > ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
