Chemistry Related Software

  Other Software

• Cambridge Structural Database
• Chem3D
• ChemBioDraw
• Cn3D
• Hyperchem
• Spartan
  

• Kaleidagraph
• Origin
• Prism

• EndNote

Further information from the Cambridge Crystallographic Data Centre: http://www.ccdc.cam.ac.uk/products/csd/

User Guides and Tutorials:
http://www.ccdc.cam.ac.uk/support/documentation/

Chem3D is an application for desktop molecular modeling and protein visualization that provides support for state-of-the-art open GL graphics and stereo hardware. Build small molecules using the ChemDraw interface and see the 3D structure appear simultaneously, perform basic molecular modeling computations such as Dihedral driver MM2 experiments, Molecular Mechanics and Dynamics.

Support:
http://www.cambridgesoft.com/services/DesktopSupport/

Purdue also has a site license for you to download and install your own copy:
http://www.lib.purdue.edu/chem/services/chemdraw.html

ChemBioDraw is a basic drawing program for chemical structures. Structures can be drawn, saved, and imported into SciFinder Scholar to conduct searches or exported into files for publication in journals. Also allows for NMR spectra to be approximated for a drawn structure.

Additional information:
http://www.cambridgesoft.com/software/ChemDraw/

Support:
http://www.cambridgesoft.com/services/DesktopSupport/

Purdue also has a site license for you to download and install your own copy:
http://www.lib.purdue.edu/chem/services/chemdraw.html

Cn3D is a visualization tool for biomolecular structures, sequences, and sequence alignments. What sets Cn3D apart from other software is its ability to correlate structure and sequence information: for example, a scientist can quickly find the residues in a crystal structure that correspond to known disease mutations, or conserved active site residues from a family of sequence homologs. Cn3D displays structure-structure alignments along with their structure-based sequence alignments, to emphasize what regions of a group of related proteins are most conserved in structure and sequence. Also included are custom labeling features, high-quality OpenGL graphics, and a variety of file exports that together make Cn3D a powerful tool for literature annotation. Cn3D is typically run from a WWW browser as a helper application for NCBI's Entrez system, but it can also be used as a standalone application.

Additional information, support, tutorials, and free download:
http://www.ncbi.nlm.nih.gov/Structure/CN3D/cn3d.shtml

HyperChem is a molecular modeling program that provides 2D or 3D visualization and animation of molecules. The software can be used for applications such as drawing, quantum chemical calculations, molecular mechanics and dynamics and can be interfaced with other user-written or third party programs. Hyperchem contains a database with information for over 10,000 common molecules.

Video Tutorials from HyperCube Software with screenshots: http://www.hyper.com/Community/Tutorials/tabid/417/Default.aspx

Tutorial and FAQ's:
http://www.hyper.com/Support/tabid/356/Default.aspx

Spartan is a molecular modeling and computational chemistry tool that uses a user-friendly graphical interface to manipulate data and view results. It provides visualization of large molecules like proteins and can also be used for spectra prediction. Spartan contains a database of 60,000 pre-drawn and pre-calculated organic and inorganic molecules and can also connect to the Cambridge Structural Database.

Tutorials from Wavefunction Software:
http://www.wavefun.com/products/windows/Essential/win_essential.html

Kaleidagraph is a graphing and data analysis program that generates publication quality graphs.

Additional information from Synergy Software:
http://www.synergy.com/kg.htm

Tutorial and FAQ's:
http://www.synergy.com/Webhelp/TechNotes.htm

Origin is a scientific graphing and data analysis tool that can create presentation quality graphics. Origin can communicate easily with Microsoft office products and has over 60 different graph types.

Tutorials:
http://wiki.originlab.com/~originla/wiki/index.php?title=Tutorials

FAQ's and Knowledgebase:
http://www.originlab.com/index.aspx?s=9

Prism is a biostatistics program that also provides graphing and curve fitting.

Additional Information:
http://www.graphpad.com/prism/Prism.htm

Tutorials:
http://www.graphpad.com/Support/support.cfm

EndNote allows you to search bibliographic databases on the Internet; organize references, images, PDFs and other files; construct your paper with built-in manuscript templates; and watch the bibliography and figure list appear as you write.

EndNote Support:
http://www.endnote.com/support/ensupport.asp

Tutorials:
http://www.endnote.com/training/