\n",
"text/html": [
"
\n",
""
]
},
"metadata": {},
"output_type": "display_data"
}
],
"source": [
"import py3Dmol\n",
"\n",
"benz='''\n",
" RDKit 3D\n",
"\n",
" 6 6 0 0 0 0 0 0 0 0999 V2000\n",
" -0.9517 0.7811 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" 0.2847 1.3329 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" 1.2365 0.5518 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" 0.9517 -0.7811 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" -0.2847 -1.3329 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" -1.2365 -0.5518 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0\n",
" 1 2 2 0\n",
" 2 3 1 0\n",
" 3 4 2 0\n",
" 4 5 1 0\n",
" 5 6 2 0\n",
" 6 1 1 0\n",
"M END\n",
"$$$$'''\n",
"view = py3Dmol.view()\n",
"view.addModel(benz,'sdf')\n",
"view.setStyle({'stick':{}})\n",
"view.zoomTo()\n",
"view.insert('left')"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
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