fix path to A17 pdb

jbloomlab · Mar 23, 2022 · 037f997 · 037f997
1 parent afc277a
commit 037f997
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Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/data/output_pdbs_config.yaml b/data/output_pdbs_config.yaml
@@ -15,7 +15,7 @@
   conditions: ALL
 
 BA1_A17:
-  pdbfile: data/pdbs/6M0J.pdb
+  pdbfile: data/pdbs/BA1_A17.pdb
   chains:
     - A
   conditions:

diff --git a/output_pdbs.ipynb b/output_pdbs.ipynb
@@ -264,7 +264,7 @@
       "    results/pdb_outputs/CAB-C19_184_6m0j_norm_total_escape.pdb\n",
       "    results/pdb_outputs/CAB-C19_184_6m0j_norm_max_escape.pdb\n",
       "\n",
-      "Making PDB mappings for BA1_A17 to data/pdbs/6M0J.pdb\n",
+      "Making PDB mappings for BA1_A17 to data/pdbs/BA1_A17.pdb\n",
       "Making mappings for 1 conditions.\n",
       "Mapping to the following chains: A\n",
       "  Writing B-factor re-assigned PDBs for CAB-A17_139 to:\n",

diff --git a/results/summary/output_pdbs.md b/results/summary/output_pdbs.md
@@ -229,7 +229,7 @@ for name, specs in output_pdbs_config.items():
         results/pdb_outputs/CAB-C19_184_6m0j_norm_total_escape.pdb
         results/pdb_outputs/CAB-C19_184_6m0j_norm_max_escape.pdb
 
-    Making PDB mappings for BA1_A17 to data/pdbs/6M0J.pdb
+    Making PDB mappings for BA1_A17 to data/pdbs/BA1_A17.pdb
     Making mappings for 1 conditions.
     Mapping to the following chains: A
       Writing B-factor re-assigned PDBs for CAB-A17_139 to: