search

mwinokan / PoseButcher

Pose butcher segments a ligand into categories
https://posebutcher.winokan.com
2 stars 0 forks source link

PyMol output #33

Open mwinokan opened 4 months ago

mwinokan commented 4 months ago

Standardise output of posebutcher pocket spheres to pymol. Example pymol python script (run with the run command in pymol):

from pymol.cgo import *
from pymol import cmd

spherelist = [ COLOR, 0,1,0, SPHERE, -14.98, -2.00, 2.23, 4.5]
cmd.load_cgo(spherelist, 'adenine',   1)

spherelist = [COLOR, 0,1,0, SPHERE, -22.38, -3.47, -5.56, 4.50]
cmd.load_cgo(spherelist, "ribose") 

spherelist = [COLOR, 0,1,0, SPHERE, -19.97, -0.89, -5.10, 4.50]
cmd.load_cgo(spherelist, "phosphate") 

spherelist = [COLOR, 0,1,0, SPHERE, -12.52, 0.77, -1.86, 4.50]
cmd.load_cgo(spherelist, "oxyanion") 

cmd.set("cgo_transparency", 0.3)