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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://sitelicense.cambridgesoft.com/sitelicense.cfm?sid=168
  • Email Authentication
    • Enter your valid @purdue.edu or @pharmacy.purdue.edu email address.
    • Only emails with valid domains have access to our site license.
  • Account Verification
    • Click "Continue" on account verification screen.
  • CambridgeSoft User Account
    • Sign up for a new CambridgeSoft (CS) User Account or login to an existing account.
    • If you have an existing CS User Account, email confirmations will be sent to your @purdue.edu email and not the address of the existing account
    • Account registration is required to access the software download
  • Download Software
    • Download the software and manual after registration is complete ( Note that there are versions for PC and Macintosh .)
    • An email will be sent with instructions to activate the software
    • With all of campus now eligible to download the software, it can take a while to download, so please be patient
  • Activate your software
    • When you start installing ChewDraw, you will be asked to Activate. If you wish to activate at a later time, you can choose to "Activate Later."
    • To activate the software, you will need the serial number assigned to you. Login to your CambridgeSoft account and choose "My Downloads" on the right side. There you can get either the PC or Mac serials numbers. If you have trouble locating your serial number, please contact the Chemistry Library.

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/software/mnova-suite/download/, 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:
WTHR 310
M.G. Mellon Chemistry Library
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.