It:software-2011

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Software for CIT

This is a non-exhaustive list of software, including software that you will find on cluster PCs and other software available for you to install and use on your own computer. If there is anything you find useful, please add it to the list in the appropriate area, along with a brief description of what it does. If you find anything which is so useful you think it should be installed on the cluster computers, please do speak to either Professor Henry Rzepa or Dr. Andrew McKinley and we can investigate any possibilities.

Software installed on Chemistry Cluster Computers

• Adobe Reader 9 - PDF reader
• Avogadro - visualiser, multiplatform
• Conquest - accessing Cambridge Structure DataBase
• Gaussian 03 - Molecular modelling
• Gaussian 09 - Molecular modelling
  • Gaussview - viewer for Gaussian output
• gNMR5 - NMR simulation software
• Mendeley desktop - document library manager
• Mercury 2.3 - CCDC visualisation application
• Mestrenova - NMR spectral analysis software
• mMass - Mass spectrometry software
• PuTTy - command line TelNet SSH tool
• PyMOL - Molecular graphics software
• Spinworks 3 - NMR analysis software
• Torganal - Spectroscopic training software
• VMD - Software for visualisation
• WxMacMolPlt - Simple molecular display, visualisation of symmetries
• XPS viewer - Tool for viewing XML files
• Accelrys
  • Discovery
  • DS Visaliser
  • Viewer lite
• CCDC
  • Conquest
  • Mercury
  • Hermes
  • Gold
• ChemBioOffice
• Endnote
• Filezilla FTP
• Gabedit
• Gimp
• GnuPlot
• Google Earth
• iTunes
• jDisk Report
• MATLAB 2009
• Mozilla Firefox
• OpenBabel
• OpenOffice
• OriginLab
• PrimoPDF
• Quicktime
• RealPlayer
• Refworks
• Scifinder Scholar
• Winzip
• Xming

Software licensing

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