pip coretools cid troubleshooting (#585)

labdao · Aug 11, 2023 · 4903ca0 · 4903ca0
1 parent 24a2f37
commit 4903ca0
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/python/setup.py b/python/setup.py
@@ -56,7 +56,7 @@ def download_and_extract(self, go_bin_url, temp_dir):
 
 setup(
     name="PlexLabExchange",
-    version="0.8.20",
+    version="0.8.21",
     packages=find_packages(where='src'),  # tell setuptools to look in the 'src' directory for packages
     package_dir={'': 'src'},  # tell setuptools that the packages are under the 'src' directory
     cmdclass={

diff --git a/python/src/plex/__init__.py b/python/src/plex/__init__.py
@@ -22,8 +22,8 @@ class CoreTools(Enum):
     ODDT = "QmUx7NdxkXXZvbK1JXZVUYUBqsevWkbVxgTzpWJ4Xp4inf"
     RFDIFFUSION = "QmXnCBCtoYuPyGsEJVpjn5regHfFSYa8kx44e22XxDX2t2"
     REPEATMODELER = "QmZdXxnUt1sFFR39CfkEUgiioUBf6qP5CUs8TCb7Wqn4MC"
-    GNINA = "QmYfGaWzxwi8HiWLdiX4iQXuuLXVKYrr6YC3DknEvZeSne"
-    BATCH_DLKCAT = "Qmb1nTkfYBwtK7DNKrnH58ED8Lp379Bnvpk6JNGqycKmzx"
+    GNINA = "QmZiQWEXj3aMRnJLoU39HHcknMDfKQD2txpfk6ubJAdDRx"
+    BATCH_DLKCAT = "QmQTjvP2utNb1JTtUHeQ8mQPvNkCTg5VRc4LVdptWkUcJ7"
     OPENBABEL_PDB_TO_SDF = "QmbbDSDZJp8G7EFaNKsT7Qe7S9iaaemZmyvS6XgZpdR5e3"
     OPENBABEL_RMSD = "QmUxrKgAs5r42xVki4vtMskJa1Z7WA64wURkwywPMch7dA"