Date: Tue, 20 Jun 1995 17:56:32 +48000 From: John Boswell To: eprlist , igorlist Subject: EPR Simulation XOP available Mime-Version: 1.0 Hi, This is a note to let people know that I've developed an XOP (external operation) for the Macintosh graphing and numerical analysis program, Igor Pro. EPRSim XOP implements the QPOW powder EPR simulation code, and can also generate isotropic spectra. I've successfully used the XOP to simulate the spectrum of PHM (a type-II copper protein), as well as the spectrum of a DMPO-S (thiyl) radical (spin trapped). The XOP appears to be stable, so I'm releasing it as "version 1.0". If you download the xop, please let me know what you think of it, and what I can do to improve it. I've also put together a demo experiment that shows how to use the simulation routines, and gives sample input and output. You can find the XOP and demo experiment, as well as an online example of the simulation output by pointing your web browsers at: http://amethyst.cbs.ogi.edu/JSB/XOP_page.html or, you can grab them via anonymous ftp at: amethyst.cbs.ogi.edu in the directory pub/xop The files are binhexed, self-extracting archives. Let me know what you think... Have a good day, -John Boswell ********************************************************************* Dr. John Boswell Oregon Graduate Institute of Science and Technology Department of Chemistry, Biochemistry, and 503-690-1086 Molecular Biology PO BOX 91000, 20000 Walker Rd, Portland, OR boswell@amethyst.cbs.ogi.edu or knight@grafton.dartmouth.edu