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   "source": [
    "# Download Mmtf Files Demo\n",
    "\n",
    "Example of downloading a list of PDB entries from [RCSB](\"http://mmtf.rcsb.org\")\n",
    "\n",
    "## Imports"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [],
   "source": [
    "from pyspark import SparkConf, SparkContext\n",
    "from mmtfPyspark.io import mmtfReader\n",
    "from mmtfPyspark.structureViewer import view_structure"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Configure Spark"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {},
   "outputs": [],
   "source": [
    "conf = SparkConf().setMaster(\"local[*]\") \\\n",
    "                      .setAppName(\"DownloadMMTFFiles\")\n",
    "sc = SparkContext(conf = conf)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Download a list of PDB entries using MMTF web services"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "metadata": {},
   "outputs": [],
   "source": [
    "pdbIds = ['1AQ1','1B38','1B39','1BUH']\n",
    "\n",
    "pdb = mmtfReader.download_mmtf_files(pdbIds, sc)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Count the number of entires downloaded"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "number of entries downloaded : 4\n"
     ]
    }
   ],
   "source": [
    "count = pdb.count()\n",
    "\n",
    "print(f'number of entries downloaded : {count}')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Visualize Structures"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "metadata": {},
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   "source": [
    "structures = pdb.keys().collect()\n",
    "view_structure(structures, style = 'line')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Terminate Spark"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "metadata": {},
   "outputs": [],
   "source": [
    "sc.stop()"
   ]
  }
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