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@@ -287,7 +287,14 @@ There are 4 scripts here which form a pipeline to generate new counter-examples
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The pipeline is as follows: 1) generate_unique_lig_poses.py; 2) counterexample_generation_jobs.py; 3) generate_counterexample_typeslines.py; 4) types_extender.py.
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Global Assumptions: 1) The data directory structure is <ROOT>/<POCKET>/<FILES>, 2) Crystal ligand files are named <PDBid>_<ligname><CRYSTALSUFFIX>,
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Global Assumptions: 1) The data directory structure is:
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```
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<ROOT>/<POCKET>/<FILES>
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```,
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2) Crystal ligand files are named:
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```
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<PDBid>_<ligname><CRYSTALSUFFIX>
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```,
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3) Receptors are PDB files, 4) output poses are SDF files.
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### Step 1) Generating the unique poses for a Pocket
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