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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 https://informatics.perkinelmer.com/sitesubscription/Gallery.aspx
    • Select Purdue University West Lafayette (or one of the other Purdue University campuses)
    • Select Register
  • Log In
    • If you already have an account, click on Existing User and log in.
      • There was an update to PE's website as of August 2021, so you may need to sign up as a "new user" even if you already have/had an account.  Use the same e-mail address and it should migrate everything properly.
    • 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.
      • Only emails with valid domains have access to our site license.
      • You will receive a confirmation e-mail.  Click the link in the e-mail to complete your registration.
      • ​Go to https://perkinelmer.flexnetoperations.com and log in with your new username and password.
  • Download Software (Windows)
    • When you log in, you should see the List Entitlements page.  Click on the "Download Now" link next to the ChemOffice version you wish to download.  For most users, the option with the furthest expiration date is recommended, but it's your choice.
    • Select the software you'd like to download.
      • 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, if requested.
    • Click on "Install software" and follow the prompts to install.  
  • Download Software (Mac)
    • When you log in, you should see the List Entitlements page.  Click on the "Download Now" link next to the ChemOffice version you wish to download.  For most users, the option with the furthest expiration date is recommended, but it's your choice.
    • Select the software you'd like to download.
      • 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, if asked.
    • Drag the ChemDraw Professional app file into the Applications folder.
  • Activate Software
    • When you start installing ChemOffice, you may be asked to activate the software.  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.
    • The activation code should be on the "List Entitlements" page where you downloaded the software, in the "Product_Activation" column.

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. Activate the program using the license (.lic) file you receive, via the License Manager tool within MestRe Nova.

For MestRe Nova support, consult the following links:

Dave Zwicky

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Dave Zwicky
Contact:
WALC 3053
Library of Engineering & Science
765-496-7279
Website

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 (wired or wifi).  The Purdue VPN is no longer an option for this.  Extensive documentation, tutorials, cheat sheets, and support can also be found at the above page.