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Haverford College
Department of Chemistry

Software Resources for Haverford Chemistry

Students at Haverford College have access to computers running Windows, Macintosh, UNIX and Linux operating systems. The KINSC computer clusters are configured with software used in many classes in Chemistry and other natural sciences; these software programs include:

  • Microsoft EXCEL for spreadsheet and simple graphical analysis
  • Gaussian and Gamess (via WebMO front end) for Quantum Chemical Calculations (Note 1)
  • Mathematica for mathematical calculations (Note 2)
  • ChemDraw software for chemical drawing (Note 2)
  • Origin for graphical representation and analysis of data (Note 2)
  • SciFinder Scholar for searching of the chemical literature (Note 2)
  • ConQuest software for searching the Cambridge Structure Database. We have software available from on-campus sites for searching and retrieving atomic coordinates from small-molecule crystal structures. See Rob Scarrow or Alex Norquist for a password and instructions to use this software. (Note 1)
  • New 2013! MestReNova for analyzing and plotting 1-D and 2-D NMR spectra obtained on either of our departmental NMR spectrometers.(Note 1)

Note 1: Some of this software may be accessed or downloaded onto computers owned by faculty, staff and students. Instructions for download and use are kept on the Haverford College storage server (which must be accessed from on-campus). The location of instructions on the storage server is departments/chemistry/public_readonly/instructions/software. Students, faculty or staff who do not know how to access the Storage Server may contact the IITS Pro Desk for help.

Note 2: Instructions for downloading some of these software titles may be obtained from the IITS software download page for students.

There are also a number of free software resources used and recommended by our faculty members. Links to software download pages are provided below:

KnowItAll (Academic Edition) from BioRad is a structure drawing program also is able to figure out IUPAC names and simulates NMR spectra of small organic molecules. It only is available for Windows, and you must register with BioRad to get the free software. (T. Newirth 10/04)

Rasmol and RasMac. Freeware designed for 3-D viewing protein structures; can also be be used for small molecules structures. Available for both PC, Mac and UNIX platforms. May be downloaded from the IITS web site.