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GROM.py
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#!/usr/bin/env python3
# -*- coding: utf-8 -*-
#
# This file is part of GROM.
#
# GROM is free software; you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation; either version 3 of the License, or
# any later version.
#
# GROM is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with GROM; If not, see <http://www.gnu.org/licenses/>.
###############################################################################
# DOC
###############################################################################
"""
GROM
-----
GROM is a GROMACS(mdp,itp,top) with Syntax Highlighting and PDB Editor with visual cues in one package based on Qt5,PyQt5 and Python3.
It's GPL licensed!(See LICENSE)
Before you run it:
`````````````````
Please Install Qt5, Pyqt5 and Python3:
On Ubuntu:
sudo apt-get install build-essential
sudo apt-get install python3
sudo apt-get install qt5-default qttools5-dev-tools
sudo apt-get install python3-pyqt5
sudo apt-get install libqt5webkit5
sudo apt-get install python3-pyqt5.qtwebkit
sudo pip3 install pyenchant
And run it:
.. code:: bash
$ python3 GROM.py
"""
###############################################################################
# IMPORTS
###############################################################################
import sys
import os
folder = os.path.realpath(__file__)[:-7]
# print('folder ',folder)
sys.path.append(folder + 'grom')
import grom
###############################################################################
# MAIN
###############################################################################
if __name__ == "__main__":
grom.setup_and_run()