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Error during docking with proteins containing norleucine

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Error during docking with proteins containing norleucine
#1

Hi all The docking of proteins containing norleucine fails with the following error.

can not find a residue type that matches the residue NLU at position 181 can not find a residue type that matches the residue NLU at position 181

ERROR: core::util::switch_to_residue_type_set fails

Is the error related to not being able to find a centroid l-ncaa params file for norleucine?

Would copying centroid MET.params into NLU.params and indicating its location in residue_types.txt work?

Thanks

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Mon, 2016-04-25 15:04
aaj

You're correct that the error is due to not having a centroid norleucine params file. 

Stealling the centroid MET.params and convering it to a NLU.params file is an excellent idea for a workaround, and should work.

Thu, 2016-04-28 14:47
rmoretti