{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "/home/max/anaconda3/lib/python3.6/site-packages/MDAnalysisTests/__init__.py:109: UserWarning: \n",
      "This call to matplotlib.use() has no effect because the backend has already\n",
      "been chosen; matplotlib.use() must be called *before* pylab, matplotlib.pyplot,\n",
      "or matplotlib.backends is imported for the first time.\n",
      "\n",
      "The backend was *originally* set to 'module://ipykernel.pylab.backend_inline' by the following code:\n",
      "  File \"/home/max/anaconda3/lib/python3.6/runpy.py\", line 193, in _run_module_as_main\n",
      "    \"__main__\", mod_spec)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/runpy.py\", line 85, in _run_code\n",
      "    exec(code, run_globals)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel_launcher.py\", line 16, in <module>\n",
      "    app.launch_new_instance()\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/traitlets/config/application.py\", line 658, in launch_instance\n",
      "    app.start()\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/kernelapp.py\", line 478, in start\n",
      "    self.io_loop.start()\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/zmq/eventloop/ioloop.py\", line 177, in start\n",
      "    super(ZMQIOLoop, self).start()\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/tornado/ioloop.py\", line 888, in start\n",
      "    handler_func(fd_obj, events)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/tornado/stack_context.py\", line 277, in null_wrapper\n",
      "    return fn(*args, **kwargs)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/zmq/eventloop/zmqstream.py\", line 440, in _handle_events\n",
      "    self._handle_recv()\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/zmq/eventloop/zmqstream.py\", line 472, in _handle_recv\n",
      "    self._run_callback(callback, msg)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/zmq/eventloop/zmqstream.py\", line 414, in _run_callback\n",
      "    callback(*args, **kwargs)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/tornado/stack_context.py\", line 277, in null_wrapper\n",
      "    return fn(*args, **kwargs)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/kernelbase.py\", line 283, in dispatcher\n",
      "    return self.dispatch_shell(stream, msg)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/kernelbase.py\", line 233, in dispatch_shell\n",
      "    handler(stream, idents, msg)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/kernelbase.py\", line 399, in execute_request\n",
      "    user_expressions, allow_stdin)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/ipkernel.py\", line 208, in do_execute\n",
      "    res = shell.run_cell(code, store_history=store_history, silent=silent)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/ipykernel/zmqshell.py\", line 537, in run_cell\n",
      "    return super(ZMQInteractiveShell, self).run_cell(*args, **kwargs)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/interactiveshell.py\", line 2728, in run_cell\n",
      "    interactivity=interactivity, compiler=compiler, result=result)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/interactiveshell.py\", line 2850, in run_ast_nodes\n",
      "    if self.run_code(code, result):\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/interactiveshell.py\", line 2910, in run_code\n",
      "    exec(code_obj, self.user_global_ns, self.user_ns)\n",
      "  File \"<ipython-input-1-2bc669df6cd8>\", line 1, in <module>\n",
      "    get_ipython().run_line_magic('matplotlib', 'inline')\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/interactiveshell.py\", line 2095, in run_line_magic\n",
      "    result = fn(*args,**kwargs)\n",
      "  File \"<decorator-gen-107>\", line 2, in matplotlib\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/magic.py\", line 187, in <lambda>\n",
      "    call = lambda f, *a, **k: f(*a, **k)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/magics/pylab.py\", line 99, in matplotlib\n",
      "    gui, backend = self.shell.enable_matplotlib(args.gui)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/interactiveshell.py\", line 2978, in enable_matplotlib\n",
      "    pt.activate_matplotlib(backend)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/IPython/core/pylabtools.py\", line 308, in activate_matplotlib\n",
      "    matplotlib.pyplot.switch_backend(backend)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/matplotlib/pyplot.py\", line 232, in switch_backend\n",
      "    matplotlib.use(newbackend, warn=False, force=True)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/matplotlib/__init__.py\", line 1305, in use\n",
      "    reload(sys.modules['matplotlib.backends'])\n",
      "  File \"/home/max/anaconda3/lib/python3.6/importlib/__init__.py\", line 166, in reload\n",
      "    _bootstrap._exec(spec, module)\n",
      "  File \"/home/max/anaconda3/lib/python3.6/site-packages/matplotlib/backends/__init__.py\", line 14, in <module>\n",
      "    line for line in traceback.format_stack()\n",
      "\n",
      "\n",
      "  matplotlib.use('agg')\n"
     ]
    }
   ],
   "source": [
    "%matplotlib inline\n",
    "import matplotlib.pyplot as plt\n",
    "import MDAnalysis as mda\n",
    "from MDAnalysis.analysis.pca import PCA\n",
    "from MDAnalysisTests.datafiles import PSF, DCD\n",
    "\n",
    "plt.style.use('ggplot')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "Mean Calculation Step   98/98 [100.0%]\n",
      "Step    98/98 [100.0%]\n"
     ]
    }
   ],
   "source": [
    "u = mda.Universe(PSF, DCD)\n",
    "pca = PCA(u, select='protein and name CA', verbose=True).run()\n",
    "\n",
    "ca = u.select_atoms('protein and name CA')\n",
    "reduced_data = pca.transform(ca, n_components=2)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<matplotlib.figure.Figure at 0x7fd30c46f160>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "fig, ax = plt.subplots()\n",
    "ax.plot(reduced_data[:, 0], reduced_data[:, 1], 'o')\n",
    "\n",
    "ax.set(xlabel=r'PC$_1$ [$\\AA$]', ylabel=r'PC$_2$ [$\\AA$]', title='PCA of ADK')\n",
    "fig.tight_layout()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "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": "3.6.3"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}