FlexCryst - A program package for crystallography

 Installing and running FlexCryst

If you have a new license, subscribe the license agreement and send it in copy to the address: Detlef Hofmann, FlexCryst, Schleifweg 23, 91080 Uttenreuth, Germany

Installing under Windows XP, Windows Vista, Windows 7, Windows 10



  1. Introduction: FlexCryst uses two directories namely C:\FlexCryst_3.01.01 (the home directory) for the program (never delete it) and C:\FlexCrystGui for temporary data. For all modules exists one example with default values, except the potential. A potential for test you find at C:\FlexCryst_3.01.01\examples\table_series.dat.  
  2. Installing FlexCryst:


  1. Unpack the received tar-file.  
  2. Move the directory FlexCryst_3.01.01 to the local disk C:\ . Former version of FlexCryst can be deleted.

  2. Requirements: If on your system the following utilities not installed, please install them. For the installation you need the rights as administrator.  
  1. Java SE Development Kit (JDK): Type java in the command prompt. If the response is  “'java' is not recognized as an internal or external command, operable program or batch file” you have to install it JDK. Download the JDK from Oracle http://www.oracle.com/technetwork/java/javase/downloads/jdk8-downloads-2133151.html or somewhere else and choose the right version, install 'jdk-8u74-windows-x64.exe' for 64 bit processors or 'jdk-8u74-windows-i586.exe' for 32 bit processors. If you reopen your command prompt and type back java your computer should know it.

  2. Activating FlexCryst:
  1. Got to the home-directory of FlexCryst: cd C:\FlexCryst_3.01.01
  2. Start the program with “java -cp FlexCrystGui-2.jar;lib\* FlexCryst”. After giving the command a window with FlexCryst should appear.
  3. Click the bottom “Convert” and in the appearing window back “convert”.  FlexCryst should work correctly, otherwise contact us.
  4. Click the bottom “Prediction”. You will be asked “Should configuration file ~/FlexCryst.LICENSE_FILE be created [y/n]?”. Answer with y and the question afterwards with n. You obtain two strings (the unique version identification and the computer identification), each of them has 30 characters. Please send this number to us dwmhofmann@aol.com.
  5. From these numbers we calculate your 'activation key', which will be send back to you after conformation of your payment. Please be aware that after this step, we will not pay back furthermore.
  6. After receiving our mail with the activation key, you should start back and answer to the question “Should configuration file ~/FlexCryst.LICENSE_FILE be created [y/n]?” with yes, then the program should work correctly.  

  2. Testing and Running FlexCryst: For all modules exists one example with default values. The modules have a help menu, which explains the significance of the different input and output parameters. Please start from the top (Convert) and test the examples step by step till the bottom (Optimize Potentials). If an example fails and you can’t solve the problem by your own, please send us an email  (dwmhofmann@aol.com) with a snapshot of the GUI and the terminal. The overall time for testing should requires roughly one hour and average skilled student should be able to do it.
  3. Introduction: FlexCryst uses two directories namely the home directory $HOME/FlexCryst_3.01.01 for the program (never delete it) and the $HOME/FlexCryst_3.01.01/C:/FlexCrystGui/ for temporary data. For all modules exists one example with default values, except the potential. A potential for test you find at $HOME/FlexCryst_3.01.01/examples/table_series.dat.  
  4. Installing FlexCryst:
  1. Unpack the received tar-file.  
  2. Move the directory FlexCryst_3.01.01 to the desired $HOME.
  3. Former versions of FlexCryst can be deleted.

  2. Requirements: If on your system the following utilities not installed, please install them. For the installation you need the rights as administrator.  
  1. Java SE Development Kit (JDK): Type java in the command prompt. If the response is  “'java' is not recognized as an internal or external command, operable program or batch file” you have to install it JDK. Download the JDK from Oracle http://www.oracle.com/technetwork/java/javase/downloads/jdk8-downloads-2133151.html or somewhere else and choose the right version, install 'jdk-<actual version>-linux-x64.rpm' for 64 bit processors or 'jdk-<actual version>-linux-i586.rpm' for 32 bit processors. If you reopen your command prompt and type back 'java' your computer should know it.

  2. Activating FlexCryst:
  1. Create a shortcut of the file $HOME/FlexCryst_3.01.01/flexcryst.sh on your Desktop.
  2. Start the program by a click on the shortcut. After the click a window with FlexCryst and a terminal should appear.
  3. Click the bottom “Convert” and in the appearing window back “convert”.  FlexCryst should work correctly, otherwise contact us.
  4. Click the bottom “Prediction”. You will be asked “Should configuration file ~/FlexCryst.LICENSE_FILE be created [y/n]?”. Answer with y and the question afterwards with n. You obtain two strings (the unique version identification and the computer identification), each of them has 30 characters. Please send this number to us dwmhofmann@aol.com.
  5. From these numbers we calculate your 'activation key', which will be send back to you after conformation of your payment. Please be aware that after this step, we will not pay back furthermore.
  6. After receiving our mail with the activation key, you should start back and answer to the question “Should configuration file ~/FlexCryst.LICENSE_FILE be created [y/n]?” with yes, then the program should work correctly.  

  2. Testing and Running FlexCryst: For all modules exists one example with default values. The modules have a help menu, which explains the significance of the different input and output parameters. Please start from the top (Convert) and test the examples step by step till the bottom (Optimize Potentials). If an example fails and you can’t solve the problem by your own, please send us an email  (dwmhofmann@aol.com) with a snapshot of the GUI and the terminal. The overall time for testing should require roughly one hour and an average skilled student should be able to do it.

We wish you success with your work and hope that FlexCryst will help you. In the case of any questions or problems, please contact us under the address dwmhofmann@aol.com. We try to solve problems on voluntary basis, if possible. Best wishes, your team of FlexCryst.