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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