Creating a wiki page

Make a blank wiki page

  • Your report is in the form of a wiki page
  • It is easiest to create your wiki page now and to populate it with information as you go, treat it like a workbook
  • Near the end of the lab you can put all the formatting in place so that the information is nicely presented, don't try to hard to make it "pretty" as you work through the lab, you may waste a great deal of time this way
  • Start by creating a page: step by step basic instructions for creating a wiki

Populate your wiki page with some simple headings

  • Put in a few headings, for example: "EX3 section", and "Project section".
  • if you get stuck goto comp_chem_lab_testpage and use the edit button to look at the setup (do not change anything!)

important! Submit your wiki address now

  • Submit your wiki address now on blackboard. We will simply check the timestamp of your wiki to ensure you have made no changes after the due date.
  • Ask a demonstrator if you have any problems!

If you have just started go back to the main lab now

Moving on to more complex things

  • You can find here how to
    • add images
    • add rotatable 3d images (Jmol) of your optimised molecule
    • link to a file in Dspace
    • link to a file run on your laptop or a desktop computer
  • More information can be found on the Write-up wiki page for the lab
  • Save and preview your page constantly (this makes a new version, which you can always revert to) if you run into a problem and cannot reverse it.
  • See also Backing up your report this is important when you are adding jmol files as if you do something wrong you can hang the application!

important! What do we expect to see for EACH molecule on your wiki-report page?

  • Look here for an example of the format and type of information you should present.
  • We expect to see:
    • a title identifying the molecule
    • the method and basis set defined
    • an image of the summary table produced by gaussview (after optimisation)
    • the "Item" table (in pre tags) from the *.log file (from the optimisation job)
    • a link to the frequency and/or population analysis files
    • low frequencies data (in pre tags) from the *.log file (from the frequency job)
    • a rotatable 3d jmol file/image of the optimised structure
  • Each gaussian file is given a unique identifier and we use these to check for plagerism.
  • Make sure your file link goes to the actual file and not to the wiki page where you saved the file.
  • important! Failure to include a valid link and/or valid log file will result in 1 mark deducted for each missing file (a broken link = missing file). Every year there are people who do the work but have missing links! Check that all your links work!
Top