Hi all,
I am trying to make a python function that mutates a residue and selects
the rotamer with the lowest energy. Here is what I have so far:
# Initialize, load your Protein
cmd.wizard("mutagenesis")
cmd.load(pdb_file)
cmd.do("refresh_wizard", echo=0)
# Mutate residue res_num to res_type
cmd.get_wizard().do_select(res_num)
cmd.get_wizard().set_mode(res_type)
# Select the rotamer with the lowest energy (MODIFY HERE)
cmd.frame(lowest_energy_rotamer)
# Apply the mutation
cmd.get_wizard().apply()
Thank you so much in advance, any tips and tricks are greatly appreciated.
Sincerely,
Gonzalo Rubio
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