Rosetta 3.3
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src/apps/public/ligand_docking/assign_charges.py File Reference
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namespace
assign_charges
Variables
tuple
assign_charges::ifs
= oemolistream()
tuple
assign_charges::ofs
= oemolostream()
assign_charges::first
= True
tuple
assign_charges::mol
= OEGraphMol(m)
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1.7.4