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Author: O3PS

simple_docking/MTH_Docking_Part2_Dock-Vina_2.0.ipynb

@@ -96,7 +96,7 @@
     "#This defines our receptor structures (all of these files happen to have the same prefix, the starting structure (xal structure) is xxx_00.pdb)\n",
     "receptor_filenames = glob('../receptor/*.pdb')\n",
     "#This defines where the ligand files are found\n",
-    "ligand_filenames = glob('/home/geoff/compounds/FtsZ/pharmit/pocket3/*.pdbqt')\n",
+    "ligand_filenames = glob('../compounds/Minifrag/*.pdbqt')\n",
     "\n",
     "#The sort command is *really* important for organising the output in the right order (the protein files are mixed up otherwise)\n",
     "receptor_filenames.sort()\n",