Hi Rob, have a look at cctbx_project/mmtbx/maps/correlation.py line #240: sel = maptbx.grid_indices_around_sites Is this what you are looking for or perhaps something close that you use to achieve your goal? Pavel On 1/20/25 09:25, [email protected] wrote:
Hi,
I am wondering if there is an efficient way to retrieve the 3D indices of a selection from a map. In the example on https://cci.lbl.gov/docs/cctbx/doc_low_flex_advanced/#getting-indices-of-sel... it is shown how to list the indices of a subset of grid elements of the map as in
print(list(isel))
But isel is a 1D representation of 3d map indices. What if I want to get hold of the list of 3D indices corresponding to the indices in the isel array? Is there a fast boost-python way of doing this or would I have to do a 3D loop over the unit cell grid numbers to see if enumerated grid elements matches any of the elements in the isel array?
Many thanks,
Rob _______________________________________________ cctbxbb mailing list -- [email protected] To unsubscribe send an email to [email protected]