BIOC 2200:

Setting up Spinworks and your Webbrowser for Practical Two.

 

Downloading SpinWorks and the data files:

The SpinWorks program version 2.55 can be downloaded from: Select the file "SpinWorks_255.zip" (There is a version 3 in development but not fully stable and needs windows .net to be installed).

Unzip these the downloaded SpinWorks file using "WinZip" or "7-Zip" or similar program, to a suitable directory such as "C:\Spinworks" (Note: It is best not to have any spaces in the path to the program location or data files, so not in eg: "My Documents").

From the "sample_data" subdirectory download the 2D spectrum file: "sample_Varian_2D.zip" and unzip it into the directory "C:\SpinWorks\UXNMR-XwinNMR data" (The 1D spectrum for this practical is already in the "C:\SpinWorks\UXNMR-XwinNMR\strychnine" as it is included in the SpinWorks_255.zip file that you have downloaded already.)

Starting SpinWorks:

Create a Windows desktop shortcut to the file "C:\Spinworks\SpinWorks.exe".

Start SpinWorks by clicking on the SpinWorks desktop icon that you have created.

Configuring SpinWorks:

From the SpinWorks program menu select: "Edit" ⇒ "Set Preferences and Start-up Options..." and a "Edit Start-up Defaults" dialog box should appear. On this dialog, set:

  • "Default Data Folder" to: "C:\SpinWorks\UXNMR-XwinNMR\" which is the sample data directory. (Alternatively it should be possible to copy the sample NMR data files to each student's network directory, but may load files a bit slower accross the network.)
     
  • "Processed data:"
    Uncheck the "Auto Save" check-box. (otherwise will try to write to the data file directory, which might be a problem if students all sharing the same data directory.)
    Uncheck the "Auto Load" check-box.
     
  • "Data format:" Select "UXNMR\XwinNMR"
     
  • "Default Scratch Folder:" Should be a directory which the student has permissions to write to, as the peak list is written to this directory. (eg: "C:\Home\Temp")
     
Then click the "OK" button to close this dialog.

Configuring your web-browser:

The "NMR Animation" page and the "JSpecView and JMol viewers" both need the Java runtime plugin installed on the computers, which should be already installed on all the university clusters computers. If the Java runtime is not installed, then it can be downloaded from: www.java.com/en/download/index.jsp.

The webpages for the tutorial have been tested in FireFox 2.0, Internet Explorer 6.0, Opera 9.25, and Safari 3.0 on Windows XP, and seemed to work okay, appart from the "JMol and JSpecView" page, which usually crashes the Safari 3.0 browser on Windows XP, but hopefully will work okay on a Mac.