From MSCHRIVER {*at*} kean.ucs.mun.ca Thu Jun 2 13:43:24 1994 Received: from morgan.ucs.mun.ca for MSCHRIVER(+ at +)kean.ucs.mun.ca by www.ccl.net (8.6.4/930601.1506) id MAA04905; Thu, 2 Jun 1994 12:44:53 -0400 Received: from leif.ucs.mun.ca by morgan.ucs.mun.ca with SMTP id AA05605 (5.65d3+/IDA-1.4.2+MUN1.3 for chemistry ^at^ ccl.net); Thu, 2 Jun 94 14:16:25 -0230 Date: Thu, 2 Jun 1994 14:14:31 +0200 (IST) From: "Schriver,M;Chemistry;" Subject: CCL:Hyperchem To: chemistry:~at~:ccl.net Message-Id: Mime-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hey out there, I have appreciated the repsonses that I have been getting on the HypeChem issue. It is clear from the reponses that I have received that the semi-empirical programs in the HyperChem suite are fully functional and have not been truncated. That is reassuring and I will make a point of mentioning that to the chemists who were telling me there were problems with HyperChem. Of the comments that I have had both through the list and by personal messages it is clear that HyperChem has an exceptional ability to generate graphics and build molecules. I am going to keep my copy of HyperChem. As far as the other issue .. ie "where can you use semi-empirical calculations?" I can see that I wandered into an area between two entrenched armies. Is there a FAQ somewhere where the "experts" have fought this issue out? What it boils down to for me is wether I can use AM1 or PM3 to calculate the orbitals of a heterocycle that contains S and/or P. I have appreciated the help. Mel Schriver P.S. Ghislain, I would not have posted my concern if it had have been just our conversation. I in fact had several similar conversations over several months. Glad you enjoyed the discussion tho ;-)