sharpdock 2.0.0__tar.gz → 2.1.0__tar.gz

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Files changed (13) hide show
  1. {sharpdock-2.0.0/sharpdock.egg-info → sharpdock-2.1.0}/PKG-INFO +1 -1
  2. {sharpdock-2.0.0 → sharpdock-2.1.0}/pyproject.toml +1 -1
  3. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock/__init__.py +1 -1
  4. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock/main.py +1 -1
  5. {sharpdock-2.0.0 → sharpdock-2.1.0/sharpdock.egg-info}/PKG-INFO +1 -1
  6. {sharpdock-2.0.0 → sharpdock-2.1.0}/LICENCE +0 -0
  7. {sharpdock-2.0.0 → sharpdock-2.1.0}/README.md +0 -0
  8. {sharpdock-2.0.0 → sharpdock-2.1.0}/setup.cfg +0 -0
  9. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock.egg-info/SOURCES.txt +0 -0
  10. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock.egg-info/dependency_links.txt +0 -0
  11. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock.egg-info/entry_points.txt +0 -0
  12. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock.egg-info/requires.txt +0 -0
  13. {sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock.egg-info/top_level.txt +0 -0
{sharpdock-2.0.0/sharpdock.egg-info → sharpdock-2.1.0}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: sharpdock
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- Version: 2.0.0
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+ Version: 2.1.0
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  Summary: Automated focused molecular docking pipeline for Autodock Vina
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  Author: alpha-horizon
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  Requires-Python: >=3.7
{sharpdock-2.0.0 → sharpdock-2.1.0}/pyproject.toml RENAMED
@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
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  [project]
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  name = "sharpdock"
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- version = "2.0.0"
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+ version = "2.1.0"
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  authors = [{name="alpha-horizon"}]
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  description = "Automated focused molecular docking pipeline for Autodock Vina"
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  readme = "README.md"
{sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock/__init__.py RENAMED
@@ -1,2 +1,2 @@
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- __version__ = "2.0.0"
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+ __version__ = "2.1.0"
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  from .main import main
{sharpdock-2.0.0 → sharpdock-2.1.0}/sharpdock/main.py RENAMED
@@ -85,7 +85,7 @@ def main():
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  formatter_class=formatter
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  )
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- parser.add_argument("-v", "--version", action="version", version="sharpdock 1.0.0")
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+ parser.add_argument("-v", "--version", action="version", version="sharpdock 2.1.0")
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  parser.add_argument("-r", "--receptor", required=True, help="Path to receptor PDB file")
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  parser.add_argument("-s", "--sites", required=True, help="Active sites (e.g., 'A:101 102; B:70')")
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  parser.add_argument("-l", "--ligands", default="ligands", help="Folder with ligands in .sdf format")
{sharpdock-2.0.0 → sharpdock-2.1.0/sharpdock.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: sharpdock
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- Version: 2.0.0
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+ Version: 2.1.0
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  Summary: Automated focused molecular docking pipeline for Autodock Vina
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  Author: alpha-horizon
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  Requires-Python: >=3.7
{sharpdock-2.0.0 → sharpdock-2.1.0}/LICENCE RENAMED
File without changes
{sharpdock-2.0.0 → sharpdock-2.1.0}/README.md RENAMED
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{sharpdock-2.0.0 → sharpdock-2.1.0}/setup.cfg RENAMED
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