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(start, end+1):
residues.append([chain, i, ""])
refine_residues(imol, residues)
Which could be called like this:
refine_ranges(1, [["I", 1, 10], ["I", 100, 110]])
to refine residues 1-10 and 100-110 in chain I of molecule 1.
Kind regards,
Paul
On Wed, 16 Oct 2019 at 12:40, Daniel Larsson <[email protected]>
wrote:
> Hi all,
>
> Is there an easy way to select multiple ranges for refinement in coot? I
> have some long-range (in sequence) interactions and want to refine two
> different regions at the same time (e.g. residues 1-10 and 100-110). One
> option is to use Sphere Refine, but I want to have more granular control of
> exactly which residues to include. I found a command in the manual called
> refine-residues (
> https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/web/docs/coot.html#Refining-Specific-Residues)
> which accepts a list of residues. I tried e.g. refine_residues(1,
> [["I",1,""],["I",3,""]]) to refine residues 1 and 3, but it is too tedious
> to type each residue separately in a list. Did anyone perhaps implement a
> custom function to accept a list of ranges?
>
> Regards,
> Daniel
>
>
>
>
>
>
>
>
>
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