The "RotoMate" is a 3D-printed autosampler for the Magritek Spinsolve benchtop NMR spectrometer, based on Arduino, Python, and PHP.
Our open-access manuscript with detailed build instructions and CAD data can be found under the following URL: https://doi.org/10.1016/j.ohx.2021.e00211
This repository contains the Python code for the "RotoMate".
On Windows machines, which this software is intended to run on, Python 3 must be installed first.
The python scripts require XAMPP and a fully set up MySQL database (see the webinterface's Github page).
The automatic evaluation of NMR spectra (optional) uses the ACD NMR Processor Academic Edition (Version 12.01).
The following libraries are required for this program:
| Library | Licence | Weblink |
|---|---|---|
| pyserial | BSD | https://pypi.org/project/pyserial/ |
| PyQt5 | GPLv3 | https://pypi.org/project/PyQt5/ |
| PyQtWebEngine | GPLv3 | https://pypi.org/project/PyQtWebEngine/ |
| mysqlclient | GPLv2 | https://github.com/PyMySQL/mysqlclient |
The libraries pyserial, PyQt5 and PyQtWebEngine can simply be installed using pip:
pip install [packagename]
The mysqlclient library can not be easily installed in this fashion on Windows. It will complain about missing Visual C++ instead, even if Visual C++ has been painstakingly set up.
This problem can be circumvented by using a precompiled package ("wheel") which is available under the following URL: https://www.lfd.uci.edu/~gohlke/pythonlibs/
After downloading the .whl file, it can be installed using the following command:
pip install mysqlclient-[VERSION].whl
Make sure to follow the instructions on the setup of the webinterface first. The python script reads certain settings from the MySQL database, and will not work without them.
To start the Autosampler GUI, first launch the Spinsolve software, and then launch main.pyw.
This code is available under the conditions of GNU General Public Licence version 3 or any later version.