Re: [COOT] Coot Speed Run, Map 1

I really like the idea! Here's my attempt: Your Time: 28:23 Latest R-factor: 0.1678 Latest R-free: 0.1994 Don't think I'll be winning with that... Cheers, Paul On Wed, 23 Dec 2020 at 11:34, Paul Emsley wrote: > Here's a bit of holiday fun: A Coot Speedrun! Pit your Coot skills > against th

Re: [COOT] refining disjoint ranges

ue_range[2] for i in range(start, end+1): residues.append([chain, i, ""]) refine_residues(imol, residues) On Wed, 16 Oct 2019 at 12:57, Paul Bond wrote: > Hi Daniel, > > Assuming you don't have insertion codes, would a function such as this > work? > (ther

Re: [COOT] refining disjoint ranges

Hi Daniel, Assuming you don't have insertion codes, would a function such as this work? (there may be typos I haven't checked this by running it) def refine_ranges(imol, ranges): residues = [] for range in ranges: chain = range[0] start = range[1] end = range[2] for i in range

Re: [COOT] set display map - python script

Hi Pascal, The functions you want are in the Map and Molecule Control section of the manual: # Read structures imol1 = read_pdb("structure1.pdb") imap1, imapdiff1 = auto_read_make_and_draw_maps("str

Re: [COOT] Writing a script for iterative sphere refinement

native parameters first to do some testing before I do any major > modifications. > > Regards. > > > > On Mon, May 20, 2019 at 4:12 AM Paul Bond < > 30b0cd59fccb-dmarc-requ...@jiscmail.ac.uk> wrote: > >> Hi Ahmad, >> >> If you want to use

Re: [COOT] Writing a script for iterative sphere refinement

Hi Ahmad, If you want to use the values from the accept refinement dialog, they are available from the refine_residues function: 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_nea