carbonscott/pymolPy3

atom selection within given cutoff

Opened this issue · 1 comments

dear Scott,
Newby question ;)

Is it possible to select a subset of atoms of a given type (CA ) around a given Atom or subset of atom?
i would like to compute dans display distance on output png .

any suggestion is welcome

should I used native pymol command like : select elem C within 3.0 of resi 110 ?

i did find the answer in the example dir

thanks, regards David

Hi David, I believe your solution with the select command is the right call. This page, https://pymolwiki.org/index.php/Selection_Algebra#Examples, offers great examples that demonstrate more sophisticated use cases of the select command. Hopefully, this would help.

You may need to save your selection of atoms as a new PDB file for distance-related analysis.