Xref: utzoo sci.bio:4974 sci.chem:3889 Path: utzoo!utgpu!news-server.csri.toronto.edu!rpi!zaphod.mps.ohio-state.edu!cis.ohio-state.edu!tut.cis.ohio-state.edu!ucbvax!ucsfcgl!pom.mmwb.ucsf.edu!troyer From: troyer@pom.mmwb.ucsf.edu (John M. Troyer) Newsgroups: sci.bio,sci.chem Subject: Re: Information on obtaining ECEPP Message-ID: Date: 14 May 91 00:42:09 GMT References: Sender: daemon@cgl.ucsf.edu Lines: 27 callahan@cs.jhu.edu (Paul Callahan) writes: >I'm interested in other programs to estimate conformation energy as well, My usual recommendation (two times in one day!) for an overview of what's out there and how to use it. Covers graphics, structure building, molecular mechanics, molecular dynamics, quantum mechanics, etc. Gives addresses. Cohen, Blaney, Humblet, Gund, and Barry "Molecular Modeling Software and Methods for Medicinal Chemistry" J. Med. Chem. (1990) 33(3):883-894. This article actually does not discuss ECEPP, which is available from QCPE (Quantum Chemistry Program Exchange), run by Indiana University. QCPE programs are available for a nominal fee. They can be reached at: QCPE Creative Arts Building 181 Indiana University Bloomington, Indiana 47405 phone: +1 812 855 4784 john troyer@cgl.ucsf.edu troyer@ucsfcgl.bitnet ..!ucbvax!ucsfcgl!troyer Department of Pharmaceutical Chemistry University of California San Francisco, CA 94143-0446