From 037f997b273825ab2440dbcf87bb7d903eaa4383 Mon Sep 17 00:00:00 2001 From: Allie Greaney Date: Tue, 22 Mar 2022 17:56:39 -0700 Subject: [PATCH] fix path to A17 pdb --- data/output_pdbs_config.yaml | 2 +- output_pdbs.ipynb | 2 +- results/summary/output_pdbs.md | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/data/output_pdbs_config.yaml b/data/output_pdbs_config.yaml index 403326f..8479010 100755 --- 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 index 2685d9a..ed03b85 100755 --- 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 index c644b02..2ec1554 100644 --- 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: