From a4f3723f70ea9c24279df9f16b9ab4bf57fc9a3a Mon Sep 17 00:00:00 2001
From: Akdel <mehmet_akdel@hotmail.com>
Date: Fri, 18 Oct 2019 15:41:44 +0200
Subject: [PATCH] static path changed for demo
---
caretta/feature_extraction.py | 3 ++-
1 file changed, 2 insertions(+), 1 deletion(-)
diff --git a/caretta/feature_extraction.py b/caretta/feature_extraction.py
index ed755cb..9c65b90 100644
--- a/caretta/feature_extraction.py
+++ b/caretta/feature_extraction.py
@@ -117,10 +117,11 @@ def get_features(pdb_file: str, dssp_dir: str, only_dssp=True, force_overwrite=T
pdb_file = str(Path(dssp_dir) / f"{name}.pdb")
pd.writePDB(pdb_file, protein)
protein = pd.parsePDB(pdb_file)
+ # print(protein)
dssp_file = Path(dssp_dir) / f"{name}.dssp"
if force_overwrite or not dssp_file.exists():
dssp_file = pd.execDSSP(str(pdb_file), outputname=name, outputdir=str(dssp_dir))
- protein = pd.parseDSSP(dssp=dssp_file, ag=protein, parseall=True)
+ protein = pd.parseDSSP(dssp=str(dssp_file), ag=protein, parseall=True)
data = get_dssp_features(protein)
if only_dssp:
return data
--
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