From owner-chemistry@ccl.net Mon Sep 24 15:10:00 2012 From: "Elaine Meng meng%x%cgl.ucsf.edu" To: CCL Subject: CCL: Statistical study of weak bonds in chemical compounds Message-Id: <-47656-120924123020-20083-ONy0kkO/oLyKBxBsU+uX9A{}server.ccl.net> X-Original-From: "Elaine Meng" Date: Mon, 24 Sep 2012 12:30:19 -0400 Sent to CCL by: "Elaine Meng" [meng++cgl.ucsf.edu] Dear Alexandre, Not that they would replace your work (as they are older), but these previous publications may be of interest. I believe both were based on high-resolution subsets of CSD. Three-dimensional hydrogen-bond geometry and probability information from a crystal survey. Mills JE, Dean PM. J Comput Aided Mol Des. 1996 Dec;10(6):607-22. http://www.ncbi.nlm.nih.gov/pubmed/9007693 Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds. Frank H. Allen , Olga Kennard , David G. Watson , Lee Brammer , A. Guy Orpen and Robin Taylor. J. Chem. Soc., Perkin Trans. 2, 1987, S1-S19 http://pubs.rsc.org/en/Content/ArticleLanding/1987/P2/p298700000s1 Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco