{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# An example of how to use smilesDrawer to render a molecule in a Jupyter Notebook"
]
},
{
"cell_type": "code",
"execution_count": 44,
"metadata": {},
"outputs": [],
"source": [
"from IPython.display import IFrame\n",
"import urllib"
]
},
{
"cell_type": "code",
"execution_count": 45,
"metadata": {},
"outputs": [],
"source": [
"def compound_html(s):\n",
" html = f\"\"\"\n",
" \n",
" \n",
"\n",
" \n",
"\n",
" \n",
"\n",
" \n",
" \n",
" \n",
" \n",
" \"\"\"\n",
" \n",
" return html\n",
"\n",
"def render_compound(s):\n",
" html = compound_html(s)\n",
" data_url = 'data:text/html,' + urllib.parse.quote(html, safe='')\n",
" return IFrame(data_url, width=250, height=250)\n",
" "
]
},
{
"cell_type": "code",
"execution_count": 46,
"metadata": {},
"outputs": [
{
"data": {
"text/html": [
"\n",
" \n",
" "
],
"text/plain": [
""
]
},
"execution_count": 46,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"render_compound(\"C1CCCCC1\")"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {},
"outputs": [],
"source": []
}
],
"metadata": {
"interpreter": {
"hash": "31f2aee4e71d21fbe5cf8b01ff0e069b9275f58929596ceb00d14d90e3e16cd6"
},
"kernelspec": {
"display_name": "Python 3",
"language": "python",
"name": "python3"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 3
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.8.8"
}
},
"nbformat": 4,
"nbformat_minor": 2
}