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2026-08-03 18:42:47 +08:00

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Python

# Python script extend_demo01.py
# A recipe for creating a new PyMOL command which calls your own PyMOL code
from pymol import cmd
# step 1: define your Python function
def my_color(color="red",sele="name CA"):
print("I am coloring "+color+ " all atoms in selection: "+sele)
cmd.color(color, sele)
# step 2: add you command to the PyMOL command language
cmd.extend("my_color", my_color)
# step 3: run this script from within PymOL
#PyMOL> run extend_demo01.py
# step 4: try it out!
#PyMOL> my_color
#PyMOL> my_color yellow
#PyMOL> my_color blue, elem c