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Chemical Information Resources & Services: Chemistry Software

This guide contains information about the resources and services for Chemistry and related fields at Purdue University, formerly available through the M.G. Mellon Library of Chemistry and currently available through the Wilmeth Active Learning Center.

ChemOffice (also known as ChemDraw / ChemBioDraw)

The Purdue Libraries provide a campus-wide license for ChemOffice Professional (which includes ChemDraw). This means anyone at Purdue, whether faculty, staff, or student, can legally download their own personal copy of ChemOffice Professional and install it on their machine, at work and at home. Here are the steps for downloading and installing the latest software:

  • Visit http://gallery.cambridgesoft.com/register.html?FlexeraAccountId=3278SL
  • Log In
    • If you already have an account, click on Existing User and log in.
    • If you do not already have an account, fill in the form.  For e-mail address, use your valid @purdue.edu or @pharmacy.purdue.edu email address.
  • Download Software (Windows)
    • When you log in, you should see the Product Information page.  Click on "ChemOffice Professional."
    • Select the software you'd like to download and click "Download Selected Files."
      • Note that there are separate versions of ChemOffice for PC and Macintosh, and an additional option for each if you'd like to integrate it with MestRe Nova.
    • This will download installer.exe file.  Run it and follow the instructions to install the Akamai NetSession installer package.
    • The installer software will now download the cop17.0.exe file.  Save it to your computer and note its location.  
    • Navigate to the cop17.0.exe file and run the program.
    • Click on "Install software" and follow the prompts to install.  
  • Download Software (Mac)
    • When you log in, you should see the Product Information page.  Click on "ChemOffice Professional."
    • Select the software you'd like to download and click "Download Selected Files."
      • Note that there are separate versions of ChemOffice for PC and Macintosh, and an additional option for each if you'd like to integrate it with MestRe Nova.
    • This will download installer.dmg file.  Run it and follow the instructions to install the Akamai NetSession installer package.
    • The installer software will now download the cop17.0.dmg file.
    • Run cop17.0.dmg and drag ChemDraw Professional 17.0.app into the Applications folder.
  • Activate Software
    • When you start installing ChemOffice, you may be asked to activate the softare.  You can either register immediately, or click "Quit" and register when you first run the software, instead.
    • To activate the software, you will need your @purdue.edu e-mail address and the activation code assigned to our campus licenses.
    • To obtain the activation code, go to https://perkinelmer.flexnetoperations.com/control/prkl/purchases and click on "ORD13378SL."

Frequently asked questions about installation and activation of ChemBioDraw can be found at: http://www.cambridgesoft.com/services/DesktopSupport/KnowledgeBase/ Other frequently asked questions about the site license can be found at: http://www.cambridgesoft.com/sitelicense/academic/FAQ/

MestReNova

MestRe Nova is a software package used for NMR data processing, simulation and analysis. It features 1D and 2D processing and analysis capabilities. It also includes a GC/MS module and an NMR Prediction module.

The Purdue Libraries has a campus license for MestRe Nova for Purdue faculty, staff, and students, who have a legitimate use.

To install and activate MestRe Nova, please follow these directions:

  1. Go to the following web site and download the version you require: http://mestrelab.com/download/mnova/, as well as the relevant plugins you might want to use. The basic NMR and MS plugins are required. The advanced plugins (RM, NMRP, Verify, and qNMR) are optional.
  2. Install the program and the appropriate plugins.
  3. Request a license file from the Chemistry Library. Please state your status (undegrad, grad, faculty, or staff), department, and a brief reason for wanting to use MestRe Nova.
  4. Follow the instructions given in this PDF to activate the program using the license (.lic) file you receive.

For MestRe Nova support, consult the following links:

Dave Zwicky

Dave Zwicky's picture
Dave Zwicky
Contact:
WALC 3053
Library of Engineering & Science
765-496-7279
Website / Blog Page

PyMol

The Purdue University has obtained a site license for use of the molecular graphics program PyMOL.

You may download the software from the following page: http://pymol.org/dsc/dokuwiki/doku.php?id=start

Note: you must access this page from a computer on the Purdue network or via the VPN. Extensive documentation, tutorials, cheat sheets, and support can also be found at the above page.