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simion_optimizer

Python scripts to be used together with the ion optics software SIMION. It is meant to provide a GUI interface to voltage and geometry optimization of SIMION models.

Installation

You need a master node which runs the optimization algorithm, GUI component and hosts a MySQL dababase. The master node is recommended to be a Debian/Ubuntu version. (Recommendation because it was actually tested on Ubuntu). Then you can add as many slave nodes as you want, ideally running Windows. These slave nodes need a working TCP/IP connection to the master node (the MySQL database) in order to get the different parameters to run SIMION with.

Dependencies Master Node

python2.7.x

Linux (Debian / Ubuntu)

Under Ubuntu all dependencies can be installed by executing the install.sh script in the projects home folder.

OSX and Windows

You have to manually install the dependencies:

  • vsftpd
  • php5
  • mysql-server
  • mysql-client
  • phpmyadmin
  • python-numpy
  • python-scipy
  • python-mysqldb
  • python-ftplib
  • python-serial
  • python-qt4
  • python-qwt5-qt4
  • python-matplotlib
  • python-tk

On the master node you need to set up an fpt server that enables the users to connect to the folder simion_optimizer/ftp

Set up phpmyadmin and mysql with a user and password such that you are able to login from the webbrowser typing 'localhost/phpmyadmin' Once logged in go to the 'Databases' tab and create a database named simion_optimizer_db. After creation go to the 'Import' tab and import the file simion_optimizer_db.sql from the simion_optimizer/input directory.

All the user and password names for the mysql database and the ftp server have to be put into the slave.config file which is in the R_files directory. Look at the present example to see the list of necessary entries in slave.config

Dependencies Slave Nodes

python2.7.x simion >= 8.1 add simion to your path variable, such that you can start simion from the command line by typing simion. SIMION_VER in the slave.config file is the name of the simion executable you want to be run.

All OS

  • python-mysqldb
  • python-ftplib
  • python-numpy

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