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I found this while I was commenting all the functions in antibody.py, see pull request #31 .
The function output_cter_constraint(base,prefix,decoy) is meant to add information in a text file for a separate tool to interpret and further improve a cognate .pdb file. The routine is passed a decoy number, but that information is not used in line https://github.com/RosettaCommons/tools/blob/master/antibody/antibody.py#L1286
where the file is created. Consequently, since the invocation is clearly dependent on that decoy number on line
Hello,
I found this while I was commenting all the functions in antibody.py, see pull request #31 .
The function output_cter_constraint(base,prefix,decoy) is meant to add information in a text file for a separate tool to interpret and further improve a cognate .pdb file. The routine is passed a decoy number, but that information is not used in line
https://github.com/RosettaCommons/tools/blob/master/antibody/antibody.py#L1286
where the file is created. Consequently, since the invocation is clearly dependent on that decoy number on line
tools/antibody/antibody.py
Line 1246 in 9db2953
there is some information overwritten. The decoy also needs to be added here
tools/antibody/antibody.py
Line 1306 in 9db2953
Cheers,
Steffen
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