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Commit 3539efb6 authored by Remi  PLANEL's avatar Remi PLANEL
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Handle cif

parent cd3152c0
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...@@ -134,8 +134,11 @@ def structure( ...@@ -134,8 +134,11 @@ def structure(
for row in reader: for row in reader:
dir_name = system_to_dir[row["system"]] dir_name = system_to_dir[row["system"]]
# console.rule(f"[bold blue]{dir_name}", style="blue") # 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 = [ 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["pae_table"]), "d": "PAE"},
{"f": Path(row["fasta_file"]), "d": "Fastas"}, {"f": Path(row["fasta_file"]), "d": "Fastas"},
{"f": Path(row["Foldseek_name"]), "d": "foldseek_monomers_html"}, {"f": Path(row["Foldseek_name"]), "d": "foldseek_monomers_html"},
...@@ -151,4 +154,6 @@ def structure( ...@@ -151,4 +154,6 @@ def structure(
if file_to_copy.exists(): if file_to_copy.exists():
shutil.copy2(file_to_copy, target_dir) shutil.copy2(file_to_copy, target_dir)
else: 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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