From elewars@alchemy.chem.utoronto.ca Wed May 14 14:43:07 1997 Received: from alchemy.chem.utoronto.ca for elewars@alchemy.chem.utoronto.ca by www.ccl.net (8.8.3/950822.1) id OAA13306; Wed, 14 May 1997 14:26:28 -0400 (EDT) Received: (from elewars@localhost) by alchemy.chem.utoronto.ca (8.7.4/8.7.3) id OAA15080 for chemistry@www.ccl.net; Wed, 14 May 1997 14:26:29 -0400 (EDT) Date: Wed, 14 May 1997 14:26:29 -0400 (EDT) From: "E. Lewars" Message-Id: <199705141826.OAA15080@alchemy.chem.utoronto.ca> To: chemistry@www.ccl.net Subject: DRAWING PROGRAM--REPLY 1997 May 14 Hello, This is in response to a question about a program that will accept molecular geometry in XYZ format and give nice pictures (a drawing program). The Windows program Molwin will accept Cartesians, Gaussian freq jobs or PDB and give attractive ball-and-stick pictures. The molecule can be rotated with a mouse and the atom and bond sizes can be adjusted. The pictures can be sent to WordPerfect and edited with bond lengths and angles, then printed for publication-quality illustrations. Unfortunately you can't _query_ Molwin for geometry. MolWin will accept Gaussian 92 freq output, show the molecule, and let you animate the vibrational frequencies. For G94, use the keyword requesting the long form of freq output. MolWin was written by Dr Pavel Ganelin of the Catholic University of America, 48ganelin@cua.edu It should be obtainable from oak.oakland.edu/simtel/win3/chem/molwin23.zip If it isn't there, look in the CCL archives or post a query to CCL. E. Lewars ====