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octavian-ganea · Mar 15, 2022 · 428d1ce · 428d1ce
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diff --git a/README.md b/README.md
@@ -175,7 +175,7 @@ Run `python -m src.inference_rigid` to produce EquiDock's outputs for all test f
 Get RMSD numbers from our papers using `python -m src.test_all_methods.eval_pdb_outputset`. You can use this script to evaluate all other baselines. Baselines' output PDB files are also provided in  `test_sets_pdb/`
 
 ### Note on steric clashes
-Some clashes are possible in our model and we are working on mitigating this issue. Our current solution is a postprocessing clash removal step in `inference_rigid.py#L19`. Output files for DB5 are in `test_sets_pdb/db5_equidock_no_clashes_results/`. 
+Some clashes are possible in our model and we are working on mitigating this issue. Our current solution is a postprocessing clash removal step in `inference_rigid.py#L19`. Output files for DIPS are in `test_sets_pdb/dips_equidock_no_clashes_results/` and for DB5 in `test_sets_pdb/db5_equidock_no_clashes_results/`. 
 
 
 

diff --git a/src/inference_rigid.py b/src/inference_rigid.py
@@ -14,7 +14,7 @@
 from src.utils.io import create_dir
 
 
-dataset = 'db5'
+dataset = 'dips'
 method_name = 'equidock'
 remove_clashes = True  # Set to true if you want to remove (most of the) steric clashes. Will increase run time.
 if remove_clashes:

diff --git a/src/test_all_methods/eval_pdb_outputset.py b/src/test_all_methods/eval_pdb_outputset.py
@@ -111,4 +111,4 @@ def compute_all_test_rmsd(dataset, method):
 
 ## Run this to get the results from our paper.
 if __name__ == "__main__":
-    compute_all_test_rmsd('db5', 'equidock') # dataset: db5 or dips; methods: equidock, attract, patchdock, cluspro, hdock
+    compute_all_test_rmsd('dips', 'equidock') # dataset: db5 or dips; methods: equidock, attract, patchdock, cluspro, hdock
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/a9_1a95.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/a9_1a95.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/a9_1a9x.pdb4_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/a9_1a9x.pdb4_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/a9_2a9w.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/a9_2a9w.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/a9_3a98.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/a9_3a98.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/a9_3a9s.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/a9_3a9s.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/aq_2aq6.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/aq_2aq6.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/aq_2aqp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/aq_2aqp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/aq_4aq2.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/aq_4aq2.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/aq_4aqa.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/aq_4aqa.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/aq_4aqn.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/aq_4aqn.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/b2_1b26.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/b2_1b26.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/b2_1b26.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/b2_1b26.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/b2_2b24.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/b2_2b24.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/b2_2b24.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/b2_2b24.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/b2_2b2e.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/b2_2b2e.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/cf_2cfx.pdb1_12.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/cf_2cfx.pdb1_12.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/cf_2cfx.pdb1_7.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/cf_2cfx.pdb1_7.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/cf_3cf0.pdb1_6.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/cf_3cf0.pdb1_6.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/cf_3cf0.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/cf_3cf0.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/cf_5cff.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/cf_5cff.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/dm_1dm3.pdb1_4.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/dm_1dm3.pdb1_4.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/dm_3dmp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/dm_3dmp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/dm_3dmp.pdb3_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/dm_3dmp.pdb3_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/dm_5dm3.pdb7_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/dm_5dm3.pdb7_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/dm_5dm7.pdb1_22.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/dm_5dm7.pdb1_22.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/eb_1ebo.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/eb_1ebo.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/eb_2eb6.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/eb_2eb6.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb3_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/eb_4eba.pdb3_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed3.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed3.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed5.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed5.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed6.pdb4_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ed_2ed6.pdb4_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ed_3edp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ed_3edp.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ed_4edz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ed_4edz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/hm_2hmf.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/hm_2hmf.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/hm_2hmf.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/hm_2hmf.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/hm_3hm2.pdb2_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/hm_3hm2.pdb2_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/hm_3hmu.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/hm_3hmu.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/hm_4hm1.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/hm_4hm1.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/j3_1j30.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/j3_1j30.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/j3_2j3g.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/j3_2j3g.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/j3_2j3g.pdb2_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/j3_2j3g.pdb2_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/j3_4j38.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/j3_4j38.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/j3_4j3f.pdb5_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/j3_4j3f.pdb5_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/kq_1kq1.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/kq_1kq1.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/kq_1kq1.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/kq_1kq1.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/kq_3kqf.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/kq_3kqf.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/kq_3kqx.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/kq_3kqx.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/kq_3kqx.pdb1_11.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/kq_3kqx.pdb1_11.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/nq_1nq3.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/nq_1nq3.pdb2_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/nq_1nqm.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/nq_1nqm.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/nq_1nqu.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/nq_1nqu.pdb1_9.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/nq_2nq2.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/nq_2nq2.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/nq_3nqn.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/nq_3nqn.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/oi_2oie.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/oi_2oie.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/oi_3oix.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/oi_3oix.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/oi_4oip.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/oi_4oip.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/oi_4oip.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/oi_4oip.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/oi_4oiz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/oi_4oiz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/p7_1p7z.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/p7_1p7z.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/p7_2p7v.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/p7_2p7v.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/p7_3p7x.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/p7_3p7x.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/p7_4p7c.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/p7_4p7c.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/p7_4p7s.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/p7_4p7s.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/pj_1pj1.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/pj_1pj1.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/pj_1pjl.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/pj_1pjl.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/pj_1pjl.pdb2_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/pj_1pjl.pdb2_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/pj_3pj5.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/pj_3pj5.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/pj_4pj1.pdb1_55.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/pj_4pj1.pdb1_55.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_10.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_4.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_4.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/s5_1s57.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/s5_1s5z.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/s5_1s5z.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sk_1sk6.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sk_3sk1.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sk_3sk1.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sk_3sk2.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sk_3sk2.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sl_1slt.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sl_1slt.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...ets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_12.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...ets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_12.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_6.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sl_3sll.pdb1_6.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sl_3slp.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sl_3slp.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sw_1swd.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sw_1swd.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sw_1swl.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sw_1swl.pdb1_5.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sw_1swp.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sw_1swp.pdb1_3.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sw_3sw5.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sw_3sw5.pdb1_8.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/sw_3swc.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/sw_3swc.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/tn_1tnu.pdb6_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/tn_1tnu.pdb6_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/tn_3tnp.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/tn_3tnp.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/tn_3tnz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/tn_3tnz.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/tn_4tn5.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/tn_4tn5.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/tn_4tnp.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/tn_4tnp.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ww_1ww6.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ww_1ww6.pdb2_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ww_1wwr.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ww_1wwr.pdb3_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ww_2ww2.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ww_2ww2.pdb1_1.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ww_2ww2.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ww_2ww2.pdb1_2.dill_l_b_EQUIDOCK_NO_CLASHES.pdb
diff --git a/...sets_pdb/dips_equidock_no_clashes_results/ww_4wwa.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb b/...sets_pdb/dips_equidock_no_clashes_results/ww_4wwa.pdb1_0.dill_l_b_EQUIDOCK_NO_CLASHES.pdb