sharpdock 2.0.0__py3-none-any.whl → 2.1.0__py3-none-any.whl

sharpdock/__init__.py

@@ -1,2 +1,2 @@
-__version__ = "2.0.0"
+__version__ = "2.1.0"
 from .main import main

sharpdock/main.py

@@ -85,7 +85,7 @@ def main():
         formatter_class=formatter
     )
     
-    parser.add_argument("-v", "--version", action="version", version="sharpdock 1.0.0") 
+    parser.add_argument("-v", "--version", action="version", version="sharpdock 2.1.0") 
     parser.add_argument("-r", "--receptor", required=True, help="Path to receptor PDB file")
     parser.add_argument("-s", "--sites", required=True, help="Active sites (e.g., 'A:101 102; B:70')")
     parser.add_argument("-l", "--ligands", default="ligands", help="Folder with ligands in .sdf format")

{sharpdock-2.0.0.dist-info → sharpdock-2.1.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: sharpdock
-Version: 2.0.0
+Version: 2.1.0
 Summary: Automated focused molecular docking pipeline for Autodock Vina
 Author: alpha-horizon
 Requires-Python: >=3.7

sharpdock-2.1.0.dist-info/RECORD

@@ -0,0 +1,8 @@
+sharpdock/__init__.py,sha256=k_NbiOB7EFwa5E-neosfDwltqn487D8IdK3XaWfYLq4,45
+sharpdock/main.py,sha256=rwiPnWhR6k8LD0VaGDd2LWN5AloxvkIOCJYtLGe8PEc,10008
+sharpdock-2.1.0.dist-info/licenses/LICENCE,sha256=g2i5njDeeyhislJ5tD5wlc3TLzukLmzxC7Z6sy5sLyk,1071
+sharpdock-2.1.0.dist-info/METADATA,sha256=T-JC8Ivj5d9yxbzgA2OhbuHmhmH0DmIoRXkG-tL6w5I,3308
+sharpdock-2.1.0.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
+sharpdock-2.1.0.dist-info/entry_points.txt,sha256=X2nQpVbNCpGp442r5rnklFOChB7-txNhPtws30rhgr8,50
+sharpdock-2.1.0.dist-info/top_level.txt,sha256=pgak3KuZWSs6n1jG0120R_CMc9mt5qv4CSdPofGPSEo,10
+sharpdock-2.1.0.dist-info/RECORD,,

sharpdock-2.0.0.dist-info/RECORD

@@ -1,8 +0,0 @@
-sharpdock/__init__.py,sha256=wI1PAOu7oSRWBxlVwLNFbsLA7lp8jv8C5-0K1rNbOWs,45
-sharpdock/main.py,sha256=j8-F7dw8mzuWEGKfLzT7W4jYIJKc-Sg3vu_JHk_wzY8,10008
-sharpdock-2.0.0.dist-info/licenses/LICENCE,sha256=g2i5njDeeyhislJ5tD5wlc3TLzukLmzxC7Z6sy5sLyk,1071
-sharpdock-2.0.0.dist-info/METADATA,sha256=8FZrz9Uwy4lDb78rEWJsen5MFvYv436dm7sBMhKc8xI,3308
-sharpdock-2.0.0.dist-info/WHEEL,sha256=wUyA8OaulRlbfwMtmQsvNngGrxQHAvkKcvRmdizlJi0,92
-sharpdock-2.0.0.dist-info/entry_points.txt,sha256=X2nQpVbNCpGp442r5rnklFOChB7-txNhPtws30rhgr8,50
-sharpdock-2.0.0.dist-info/top_level.txt,sha256=pgak3KuZWSs6n1jG0120R_CMc9mt5qv4CSdPofGPSEo,10
-sharpdock-2.0.0.dist-info/RECORD,,