Open smoe opened 9 years ago
Hello,
I found this while I was commenting all the functions in antibody.py, see pull request https://github.com/RosettaCommons/tools/pull/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 https://github.com/RosettaCommons/tools/blob/9db2953dea18ba008e8c738e71df4074a44e32b1/antibody/antibody.py#L1246 there is some information overwritten. The decoy also needs to be added here https://github.com/RosettaCommons/tools/blob/9db2953dea18ba008e8c738e71df4074a44e32b1/antibody/antibody.py#L1306
Cheers,
Steffen
Hello,
I found this while I was commenting all the functions in antibody.py, see pull request https://github.com/RosettaCommons/tools/pull/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 https://github.com/RosettaCommons/tools/blob/9db2953dea18ba008e8c738e71df4074a44e32b1/antibody/antibody.py#L1246 there is some information overwritten. The decoy also needs to be added here https://github.com/RosettaCommons/tools/blob/9db2953dea18ba008e8c738e71df4074a44e32b1/antibody/antibody.py#L1306
Cheers,
Steffen