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How does one convert a PDB file of an antibody to AHO scheme?

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How does one convert a PDB file of an antibody to AHO scheme?
#1

Hi,

I'm receiving the following error message:

RuntimeError                              Traceback (most recent call last)
<ipython-input-16-bd34a170c780> in <module>
      3 original_pose = pose.clone()
      4 
----> 5 ab_info = antibody.AntibodyInfo(pose, antibody.AHO_Scheme, antibody.North)

RuntimeError: 

File: /home/benchmark/rosetta/source/src/protocols/antibody/AntibodyInfo.cc:442
  B): the input pose has two chains, 1). if it is nanobody, the chain should be 'H'. 2). Light chain SCFv not implemented 

Code:

#Import a pose
pose = pose_from_pdb("/content/2r01.pdb")
original_pose = pose.clone()

 

ab_info = antibody.AntibodyInfo(pose, antibody.AHO_Scheme, antibody.North)

 

Does anyone have a recommendation for how to resolve this?

Category: 
Post Situation: 
Mon, 2023-02-13 18:14
kylevaccaro

I've written a custom python script that pulls the sequence from the structure, calls ANARCI and parses that data, then applies the stored numbering scheme back to the structure.

There are some other tools around. PyIgClassify is reported to do this, but I can't find the download at the moment. It requires a license for commercial use.

Mon, 2023-02-13 21:01
nannemdp

If you'd like to drop the code in a comment, I'm happy to try it out. I ended up using PyIgClassify. The submit page converts PDBs (http://dunbrack2.fccc.edu/PyIgClassify/User/UserPdb.aspx)

Wed, 2023-02-15 17:51
kylevaccaro