Software for Science (New York)

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.

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

• Request a ChemDraw account – Current NYU faculty, staff, and students who need access to ChemDraw should submit this request form. You'll receive a response within 1-2 days with details on how to create a ChemDraw account.
• Accessing ChemDraw online – After you've created your ChemDraw account, log in to NYU's Signals ChemDraw portal, click on the ChemDraw+ app to open the online version of the software. At the top of the page, click "Add New" or choose one of the Style Sheets to get started. 
• Downloading the ChemDraw software – After you've created your ChemDraw account, log in to NYU's Signals ChemDraw portal, scroll down to the "Installers" section, and click on the ChemDraw Desktop Suite Installer. Begin to download and install ChemDraw Desktop Suite software. The first time you run the software, you'll be prompted to choose a licensing option. Select "Signals account" and click "Continue." When prompted for the Signals URL, enter this: https://newyorku.signalsresearch2.revvitycloud.com/ Then log in using your NYU email and the password you just chose for your ChemDraw account, and finish the downloading process.

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 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 is a general-purpose data collection and analysis program.

• Logger Pro is not installed on any public computers in the library, but if your instructor emails you a link to download Logger Pro, or posts a Logger Pro download link to NYU Classes, then it can be downloaded and run on your personal computer.

Mathematica is a programming environment designed for mathematical computations.

• Mathematica is available to students through 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 for students through 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. 

• A limited number of shared OriginPro licenses are available to NYU Chemistry labs on the Washington Square campus. For more information, students and faculty who are currently affiliated with NYU Chemistry can contact Shereef Elmetwaly.

Signals ELN is an online lab notebook – it lets you capture, organize, manage, and share your scientific data.

• Current NYU faculty, staff, and students who need access to Signals ELN should submit this request form. You'll receive a response within 1-2 days with details on how to create a Signals ELN account.
• After you've created a Signals ELN account, you can access Signals ELN by logging in to NYU's Signals ChemDraw portal.

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

• TopSpin can be downloaded for free, for academic use, from the vendor website after registering an account with your NYU email address.
• For more NMR freeware/software options, please consult the University of Washington's guide to NMR data processing. 

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

• Download Zotero for free at Zotero.org.
• Guide to downloading and using Zotero.