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

Start menu items

• 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

Start menu folders

• Accelrys - Visualisation software
  • Discovery Studio Visualiser
  • DS Visualiser
  • Accelrys Viewer lite
• CCDC - Software from the Cambridge Crystallographic Data Centre
  • CSD System Software -> Mercury
  • CSD System Software 2011
    • Conquest - Search the Cambridge Structural Database (CSD)
    • IsoStar Client - A Knowledge Base of Intermolecular Interactions
    • Mercury - Crystal Structure Visualisation
    • Mogul - A Knowledge Base of Molecular Geometry
    • Prequest - Creation of In-House Databases in CSD format
  • Gold Suite
    • Gold - program for calculating the docking modes of small molecules in protein binding sites
    • Hermes - Comprehensive Protein Visualiser
  • SuperStar - Predicting Protein-Ligand Interactions Using Experimental Data
• ChemBioOffice 2010
  • ChemBio3D Ultra - Molecular graphics and computational methods package
  • ChemBioFinder Std - A chemically and biologically intelligent database manager and search engine
  • ChemDraw Pro - Chemical structure drawing and more
• DeLano Scientific
  • PyMOL tools
• Endnote
• Filezilla FTP
• Gabedit
• Gaussian 03W
• Gaussian 09W
• GaussView 5.0
• Gimp
• GnuPlot
• Google Earth
• iTunes
• jDisk Report
• MATLAB
• Microsoft Office
• Mozilla Firefox
• OpenBabel
• OpenOffice
• OriginLab
• PrimoPDF
• Quicktime
• RealPlayer
• Refworks
• Scifinder Scholar
• Torganal2
• University of Illinois
  • VMD
• Winzip
• Xming

Software licensing

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