From 3539efb6b92065a9a0f8305e465c608198fc81cb Mon Sep 17 00:00:00 2001
From: Remi PLANEL <rplanel@pasteur.fr>
Date: Tue, 19 Dec 2023 15:17:53 +0100
Subject: [PATCH] Handle cif
---
packages/df-wiki-cli/df_wiki_cli/content/main.py | 9 +++++++--
1 file changed, 7 insertions(+), 2 deletions(-)
diff --git a/packages/df-wiki-cli/df_wiki_cli/content/main.py b/packages/df-wiki-cli/df_wiki_cli/content/main.py
index bea0f2d4..a8c1669d 100644
--- a/packages/df-wiki-cli/df_wiki_cli/content/main.py
+++ b/packages/df-wiki-cli/df_wiki_cli/content/main.py
@@ -134,8 +134,11 @@ def structure(
for row in reader:
dir_name = system_to_dir[row["system"]]
# console.rule(f"[bold blue]{dir_name}", style="blue")
+ pdb_path_file = Path(row["pdb"])
+ cif_file_name = Path(str(pdb_path_file).split(".pdb")[0] + ".cif")
files = [
- {"f": Path(row["pdb"]), "d": "PDB"},
+ {"f": pdb_path_file, "d": "PDB"},
+ {"f": cif_file_name, "d": "CIF"},
{"f": Path(row["pae_table"]), "d": "PAE"},
{"f": Path(row["fasta_file"]), "d": "Fastas"},
{"f": Path(row["Foldseek_name"]), "d": "foldseek_monomers_html"},
@@ -151,4 +154,6 @@ def structure(
if file_to_copy.exists():
shutil.copy2(file_to_copy, target_dir)
else:
- console.print(f"[red] file {str(file_to_copy.name)} does not exist")
+ console.print(
+ f"[red] file {str(file_to_copy.name)} does not exist"
+ )
--
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