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Software for Science at NYU NY: Home

This is a guide to accessing scientific software packages on the NYU NY campus.

Cambridge Structural Database

Cambridge Structural Database (CSD) is a worldwide repository of small molecule crystal structures hosted by Cambridge Crystallographic Data Center (CCDC). NYU has a site license to access CSD.

You may access the database via WebCSD (the online portal to the CSD)

Alternatively, contact Margaret Smith for information on installing the Cambridge Structural Database System (CSDS) on your computer.

ChemOffice (includes ChemDraw)

ChemOffice lets you locate properties information for structures and create publication-quality structural diagrams/models. 

To download ChemOffice, you'll need to set up a personal account, using your NYU or Poly email address, at the PerkinElmer site.

After you've created the account and logged in, go to "My Account" and choose "My Site Subscription" to get access to software downloads. Then, when you run the software for the first time, it will ask for serial numbers or codes which are located in the "My Downloads" part of your PerkinElmer account.

Note: If you are having trouble downloading ChemOffice for Mac 10.9.x, try this alternate installer.

The ChemOffice suite (including ChemDraw 3D) is also available on Data Services computers (5th Floor, Bobst Library). 


EndNote lets you collect, organize, annotate, and share your references and PDFs, in addition to formatting your in-text citations or footnotes and bibliography.

Guide to downloading and using EndNote

Guide to downloading EndNote for NYU Health Sciences users

Gaussian and Gaussview

Gaussian lets you model electron structures. This software is capable of handling proteins and large molecules using semi-empirical, ab initio molecular orbital (MO), density functional, and molecular mechanics calculations.

Gaussian is distributed by the High Performance Computing group.

GaussView is a graphical user interface for Gaussian.

A desktop license for GaussView is available upon request. Email the High Performance Computing group for distribution information.

Logger Pro

Logger Pro is a general-purpose data collection and analysis program.

If your professor makes it available for free via NYU Classes, it can be downloaded and run on the Data Services computers (5th Floor, Bobst Library). 


Mathematica is a programming environment designed for mathematical computations.

Mathematica is available on Data Services computers, at ITS Computer Labs, and in the Virtual Computer Lab. Distribution is managed by the High Performance Computing group. Email them to learn more about acquiring a license. 


MATLAB  integrates numerical analysis, matrix computation, signal processing, and graphics in an easy to use environment.

MATLAB is available on Data Services computers (5th Floor, Bobst Library), at ITS Computer Labs, and in the Virtual Computer Lab. Individual licenses for faculty, staff, and students available through the NYU Computer Store


OriginPro is a software application for data analysis and publication-quality graphing. NYU's license for OriginPro 9.1 includes 10 concurrent lab seats. 

OriginPro is available on Data Services computers.To download the software in your lab, please contact Ron McLurkin. 


TopSpin is NMR processing software for Windows, Mac, and Linux.

TopSpin can be downloaded for free, for academic use.

For more NMR freeware/software options, please consult the University of Washington's guide to NMR data processing

Subject Librarian

Margaret Smith's picture
Margaret Smith
Bobst Library, 5th Floor