Thought this might be of interest to this group....haven't checked it out myself yet. Julianne M. Braun, graduate student Dept of Chemistry, Wake Forest University P.O. Box 7486, Salem Hall Winston-Salem, NC 27109 (336) 758-6162 (336) 758-4656 FAX ---------- Forwarded message ---------- Date: Mon, 17 May 1999 10:16:03 -0600 From: Scott Anderson <anderson@chemistry.chem.utah.edu> To: surface surface <surface@surf.ssw.uwo.ca>, Subject: molecular visualization on PCs Dear Colleague: My group has lately been doing quantum chemistry and MD calculations to aid experimental interpretation. We needed a good visualization program, and wanted one that would run on PCs because that's what we have. Leif Laaksonen (http://laaksonen.csc.fi/gopenmol/gopenmol.html) has written a powerful (and free) program called gOpenMol that runs on Win 95/98/NT boxes, as well as Unix workstations. The program can work with about 20 common input formats (Gaussian, GAMESS, Mopac, Xmol, PDB, ....). gOpenMol does lots of things, and makes very well rendered images/animations that can be exported in a variety of formats. It uses Tcl scripts, so it is possible to automate or extend the program to suit your application. One problem has been that documentation is minimal, and to help with this, I have written a tutorial that covers the basics of gOpenMol. This can be viewed or downloaded by clicking the "Using gOpenMol" button at the bottom of my web page: http://www.chem.utah.edu/chemistry/faculty/anderson/anderson.html The tutorial demonstrates the following operations: Visualize molecular structures in all the usual formats (stick, ball and stick....) Visualize MOs, densities, spin densities, etc, in a variety of formats (contours, surface plots...) Animate vibrations from a quantum chemistry calculation, and write out animations as frames or movies. Visually manipulate subgroups of atoms (e.g. subunits in a complex) then write out geometries for further calculations (e.g. to generate guesses for transition state geometries). gOpenMol can do many other things, but this should get you started. Prof. Scott L. Anderson anderson@chemistry.utah.edu Chemistry Department Ph:(801)585-7289 University of Utah FAX:(801)581-8433 315 S. 1400 E. RM Dock Salt Lake City, UT 84112-0850 http://www.chem.utah.edu/chemistry/faculty/anderson/anderson.html chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)