CCL: Statistical study of weak bonds in chemical compounds
- From: "Elaine Meng" <meng~~cgl.ucsf.edu>
- Subject: CCL: Statistical study of weak bonds in chemical
compounds
- 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
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Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco