Hi,
I have recently started to play with PyMOL and using python scripts. Is it
possible to create a new selection without launching the GUI? I want to
manipulate the selection and calculate the surface area, and then delete it. I
will be doing this for a lot of proteins so I would like to be able to batch
process with a script.
The code that I currently have is as follows:
import __main__
__main__.pymol_argv = ['pymol', '-qei']
import pymol
from pymol import cmd, stored
pymol.finish_launching()
import sys, getopt
name = sys.argv[1]
cmd.fetch(name, "protein")
cmd.create("__tmp", name)
cmd.remove("__tmp" + " and b < " + str(2.5))
I suspect that it is the cmd.create("__tmp", name) function that launches the
GUI — am I correct? If so, what are my options?
Thank you,
Irem
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