Commit 1fafb868 authored by Vaclav Hanzl's avatar Vaclav Hanzl
Browse files

Improve notebook: Make install/import independent of relax_prediction

This way user can repeat just the first and last cell to get both versions.
parent 007ab6f3
...@@ -186,9 +186,7 @@ ...@@ -186,9 +186,7 @@
" %shell pushd /opt/conda/lib/python3.8/site-packages/ && \\\n", " %shell pushd /opt/conda/lib/python3.8/site-packages/ && \\\n",
" patch -p0 < /content/openfold/lib/openmm.patch && \\\n", " patch -p0 < /content/openfold/lib/openmm.patch && \\\n",
" popd\n", " popd\n",
"\n", " %shell conda install -y -q -c conda-forge pdbfixer=1.7\n",
" if(relax_prediction):\n",
" %shell conda install -y -q -c conda-forge pdbfixer=1.7\n",
"\n", "\n",
" if(weight_set == 'AlphaFold'):\n", " if(weight_set == 'AlphaFold'):\n",
" %shell mkdir --parents \"{ALPHAFOLD_PARAMS_DIR}\"\n", " %shell mkdir --parents \"{ALPHAFOLD_PARAMS_DIR}\"\n",
...@@ -275,8 +273,7 @@ ...@@ -275,8 +273,7 @@
"from openfold.data.tools import jackhmmer\n", "from openfold.data.tools import jackhmmer\n",
"from openfold.model import model\n", "from openfold.model import model\n",
"from openfold.np import protein\n", "from openfold.np import protein\n",
"if(relax_prediction):\n", "from openfold.np.relax import relax\n",
" from openfold.np.relax import relax\n",
"from openfold.np.relax.utils import overwrite_b_factors\n", "from openfold.np.relax.utils import overwrite_b_factors\n",
"from openfold.utils.import_weights import import_jax_weights_\n", "from openfold.utils.import_weights import import_jax_weights_\n",
"from openfold.utils.tensor_utils import tensor_tree_map\n", "from openfold.utils.tensor_utils import tensor_tree_map\n",
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment