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Add distance-based selections

Open arose opened this issue 8 years ago • 5 comments

For example "within( 3, 12:A )" to select all atoms with 3 angstrom of residue number 12 in chain A. Depends on fast distance calculations (#76).

arose avatar Apr 27 '16 16:04 arose

We would love to be able to use this selection option - any progress on this, or idea of timelines please?

martinjoel avatar Jul 14 '16 09:07 martinjoel

Cheeky additional request: would it also be possible to reference other components? within(3.0, some_other_component_id).

The use case would be things like showing protein binding site surfaces for docking results / designed ligands etc., where the ligand and protein are in different files.

fredludlow avatar Jul 14 '16 12:07 fredludlow

Cheeky additional request: would it also be possible to reference other components? within(3.0, some_other_component_id).

this would be nice indeed, related #23

arose avatar Jul 18 '16 16:07 arose

sub-feature: option to update distance-based selection when playing trajectories

arose avatar Nov 07 '16 19:11 arose

Still looking forward to this so that distance-based selection can be used with the gui interface (http://nglviewer.org/ngl/) not just by using getAtomSetWithinSelection from JS side

tonyyzy avatar Aug 01 '19 13:08 tonyyzy