10 lines
217 B
Python
10 lines
217 B
Python
from dunbrack import DunbrackRotamerLibrary
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rl = DunbrackRotamerLibrary()
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res_name = "LYS"
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print(f"Rotamers for {res_name}")
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for rotamer in rl.rotamer_params(res_name, 100, 100):
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print(rotamer.p, rotamer.chis) |