Hi Petro,
This should work (example with PDB 1ubq):
from pmg_tk.startup.apbs_gui.creating import pdb2pqr_cli
from pmg_tk.startup.apbs_gui.electrostatics import map_new_apbs
cmd.fetch("1ubq")
pdb2pqr_cli("prepared01", "1ubq", options=["--ff", "amber"])
map_new_apbs("apbs_map01", "prepared01")
cmd.
Hi.
How can I generate electrostatics using Python API?
Thanks.
Petro.
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