{
  "nbformat": 4,
  "nbformat_minor": 0,
  "metadata": {
    "colab": {
      "name": "01.01-PyRosetta-Google-Drive-Setup.a.wheel.ipynb",
      "provenance": [],
      "collapsed_sections": []
    },
      "language_info": {
       "codemirror_mode": {
	"name": "ipython",
	"version": 3
       },
       "file_extension": ".py",
       "mimetype": "text/x-python",
       "name": "python",
       "nbconvert_exporter": "python",
       "pygments_lexer": "ipython3",
       "version": "3.7.0"
      },
      "kernelspec": {
      "name": "python3",
      "display_name": "Python 3"
    }
  },
  "cells": [
    {
      "cell_type": "code",
      "metadata": {
        "id": "_eZ7te8jVOor"
      },
      "source": [
        "# Mounting Google Drive and add it to Python sys path  \n",
        "\n",
        "google_drive_mount_point = '/content/google_drive'\n",
        "\n",
        "import os, sys, time\n",
        "\n",
        "if 'google.colab' in sys.modules:\n",
        "    from google.colab import drive\n",
        "    drive.mount(google_drive_mount_point)\n",
        "\n",
        "if not os.getenv(\"DEBUG\"):\n",
        "    google_drive = google_drive_mount_point + '/My Drive'      "
      ],
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "metadata": {
        "id": "2QzBwpIDV8be"
      },
      "source": [
        "%%time\n",
        "if not os.getenv(\"DEBUG\"):\n",
        "    # installing PyRosetta\n",
        "    if sys.version_info.major != 3 or sys.version_info.minor != 7:\n",
        "        print('Need Python-3.7 to run!')\n",
        "        sys.exit(1)\n",
        "\n",
        "    # upload PyRosetta Linux WHEEL package into your google drive and put it into /PyRosetta dir\n",
        "    # or alternatively you can download PyRosetta directly from GrayLab web site (but this might take some time!)\n",
        "    #!mkdir $notebook_path/PyRosetta\n",
        "    #!cd $notebook_path/PyRosetta && wget --user USERNAME --password PASSWORD https://graylab.jhu.edu/download/PyRosetta4/archive/release/PyRosetta4.Release.python37.ubuntu.wheel/latest.html   \n",
        "\n",
        "    pyrosetta_distr_path = google_drive + '/PyRosetta' \n",
        "    \n",
        "    # finding path to wheel package, if multiple packages is found take first one\n",
        "    # replace this with `wheel_path = pyrosetta_distr_path + /<wheel-file-name>.whl` if you want to use particular whl file\n",
        "    wheel_path = pyrosetta_distr_path + '/' + [ f for f in os.listdir(pyrosetta_distr_path) if f.endswith('.whl')][0]\n",
        "    \n",
        "    print(f'Using PyRosetta wheel package: {wheel_path}')\n",
        "\n",
        "    !pip3 install '{wheel_path}' "
      ],
      "execution_count": null,
      "outputs": []
    },
    {
      "cell_type": "code",
      "metadata": {
        "id": "VTAcelKGbS3y"
      },
      "source": [
        "from pyrosetta import *\n",
        "pyrosetta.init()"
      ],
      "execution_count": null,
      "outputs": []
    }
  ]
}