GROM

version: 0.7.0

GROM is a GROMACS(mdp,itp,top) files with Syntax Highlighting and PDB Editor wtih visual cues in one package based on Qt5,PyQt5 and Python3. It's GPL licensed!(See LICENSE)

Dependencies

Python >= 3.0 (or Python3)

PyQt >= 5.0

License

GPLv3+ (GPLv3 or any other version later published by FSF at your option)

New Features

Now you can connect your RS232 device, e.g. Spectrometer(Tested with Jenway 6405)

Screenshots:

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 apt-get install python3-pip #Install pip
        sudo pip3 install pyenchant # For spelling Suggestion of Parameters
        sudo pip3 install pyserial # For RS232 connection


    On Windows:
    if 64 bit, find, download and install:
        python-3.4.3.amd64.msi
        PyQt5-5.4.2-gpl-Py3.4-Qt5.4.2-x64.exe
        numpy-1.9.2+mkl-cp34-none-win_amd64.whl
        scipy-0.16.0-cp34-none-win_amd64.whl
        matplotlib-1.4.3.win-amd64-py3.4.
        pip3 install pyenchant # For spelling Suggestion of Parameters
        pip3 install pyserial # For RS232 connection

And run it:

.. code:: bash $ python3 GROM.py

Citing:

GROM was written by Hovakim Grabski.

If you find this package useful and use it in published work I'd be grateful if it was acknowledged in text as

"... used GROM (Hovakim Grabski, https://github.com/hovo1990/GROM/ doi: 10.5281/zenodo.62061)" or in the Acknowledgements section.

Thank you.

Author:2014 by Hovakim Grabski([email protected],[email protected])