Try here: http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8031&loc=ec_rcs download the sdf and use the sdf to pdb converter Or I think phenix can read in sdf and convert them
Jürgen On Jul 17, 2013, at 9:35 AM, Wei Feng wrote: Dear all, Thank you for your advices. I had tried to use MPD and pyrophosphate etc to fix the density map but all of them were too small. We guess that the molecular formula should be C8H18O2. So we search this formula in google and find two candidate molecules 1: http://flyingexport.en.ecplaza.net/dhad-99-5--137042-689140.html 2: http://en.m.wikipedia.org/wiki/Di-tert-butyl_peroxide Could you tell me how to get the coordinate of these molecules? Thank you for your time! Wei ...................... Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Malaria Research Institute 615 North Wolfe Street, W8708 Baltimore, MD 21205 Office: +1-410-614-4742 Lab: +1-410-614-4894 Fax: +1-410-955-2926 http://lupo.jhsph.edu
