Hoang-Son Lai Le

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icon company Texas A&M University icon location College Station, Texas icon location PhD student at Texas A&M University - Dr. Wenshe Liu's lab. Researcher at Med-AI team, University of Medicine and Pharmacy at HCMC

Results 4 comments of Hoang-Son Lai Le

Declare_chemical_bond between 2 SG atoms on the sidechain of 2 Cys residues

Thank you for your quick response. I tried this according to the Pyrosetta docs pose.conformation().add_disulfide_bond(SG_B1_resID, SG_B14_resID) However, it just returned the boolean value True without changing anything (I checked the...

Declare_chemical_bond between 2 SG atoms on the sidechain of 2 Cys residues

I got it. Thank you so much. Also, do you have the example script for creating a chemical bond via a two-step process you mentioned? I want to also connect...

A dihedral angle was specified that was not found in the atoms making up the loop to be closed

Thanks Dr. Mulligan. I actually did declare the disulfide bond in the previous part according to the instruction here: https://docs.rosettacommons.org/docs/latest/scripting_documentation/RosettaScripts/composite_protocols/generalized_kic/GeneralizedKIC ``` ``` Let me double-check again whether I have to...

A dihedral angle was specified that was not found in the atoms making up the loop to be closed

Oh I see, you're right. I think it will work if I either delete them or change them to CA CB and CB SG instead. Let me try them all...