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Small fixes for the GFP notebook.
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scandido committed Aug 5, 2024
1 parent 973f13c commit 6ca193d
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions examples/gfp_design.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -312,7 +312,7 @@
"cell_type": "code",
"source": [
"view = py3Dmol.view(width=1000, height=500)\n",
"view.addModel(structure_generation_protein.to_pdb_string(), \"pdb\")\n",
"view.addModel(structure_generation_protein.to_protein_chain().infer_oxygen().to_pdb_string(), \"pdb\")\n",
"view.setStyle({\"cartoon\": {\"color\": \"lightgreen\"}})\n",
"view.zoomTo()\n",
"view.show()"
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"constrained_site_positions = [59, 62, 63, 64, 93, 219]\n",
"\n",
"template_chain = template_gfp.to_protein_chain()\n",
"generation_chain = structure_generation_protein.to_pdb_string()\n",
"generation_chain = structure_generation_protein.to_protein_chain()\n",
"\n",
"constrained_site_rmsd = template_chain[constrained_site_positions].rmsd(\n",
" generation_chain[constrained_site_positions]\n",
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