scripts.data.postprocessingΒΆ
Modules
Submit a batch array job on SLURM to run multiple batched dTERMen jobs. |
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Patch dTERMen runs with errors. |
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Functions for searching directories of PDB files and dTERMen runs. |
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Parse the results of all dTERMen runs ran in a directory and create a summary csv. |
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Parse output of TERMinator into |