From owner-chemistry -8 at 8- ccl.net Wed Aug 25 21:09:00 2010 From: "Venable, Richard (NIH/NHLBI) E venabler-.-nhlbi.nih.gov" To: CCL Subject: CCL: Drawing Software Message-Id: <-42615-100825210625-6165-VYyAPpYh18JHVmoLl/4ALA\a/server.ccl.net> X-Original-From: "Venable, Richard (NIH/NHLBI) [E]" Content-Language: en Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="iso-8859-1" Date: Wed, 25 Aug 2010 21:05:36 -0400 MIME-Version: 1.0 Sent to CCL by: "Venable, Richard (NIH/NHLBI) [E]" [venabler]![nhlbi.nih.gov] On Linux (Ubuntu), I've found the combination of chemtool and the venerable xfig program works fairly well. Draw the individual molecules with chemtool, save each to a file, then export the drawing in encapsulated postscript format. For markup, the xfig program can read, place, and display .eps files as objects, and allows the addition of annotation as text, lines, arrows, etc. to create a final complex figure. You could also add structures to an energy vs. reaction coordinate plot this way, assuming the plotting program can produce postscript output. The ps2epsi command (part of ghostscript) can be used to encapsulate .ps to .eps, for programs that don't offer .eps output. Regards, -- Rick Venable 5635 FL/T906 Membrane Biophysics Section NIH/NHLBI Lab. of Computational Biology Bethesda, MD 20892-9314 U.S.A. (301) 496-1905 venabler AT nhlbi*nih*gov On 8/25/10 7:08 PM, "Barry Hardy barry.hardy*o*vtxmail.ch" wrote: Sent to CCL by: "W Flak" [williamflak{=}yahoo.com] Dear CCL I was wondering if there is a free software to draw the reaction mechanism, energy levels of reactants, transition state and products, where I use chemdraw but the graph is not organised well. Thanks in advance Flak