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</o:shapelayout></xml><![endif]--></head><body bgcolor=white background="cid:image001.jpg@01CB3EBE.E3A2B270" lang=EN-US link=blue vlink=purple><img src="cid:image001.jpg@01CB3EBE.E3A2B270" v:src="cid:image001.jpg@01CB3EBE.E3A2B270" v:shapes="_x0000_Mail" width=0 height=0 class=shape style='display:none;width:0;height:0'><div class=WordSection1><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Is there a way to use Chimera to determine what atoms/groups in a protein are closest to a particular water molecule? I have an x-ray structure that is solvated. I would like to determine the positions of the water molecules in the x-ray structure and compare these to the water molecule positions after molecular dynamics.<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Thanks!<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>John<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p><div><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>John M. Beale, Jr., Ph.D.<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>Professor of Medicinal Chemistry and Pharmacognosy<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>Saint Louis College of Pharmacy<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>4588 Parkview Place<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>Saint Louis, Missouri 63110<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>314-446-8461<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>Cell: 314-315-0409<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif";color:#C00000'>FAX: 314-446-8460<o:p></o:p></span></b></p><p class=MsoNormal><b><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><a href="mailto:jbeale@stlcop.edu">jbeale@stlcop.edu</a><o:p></o:p></span></b></p></div><p class=MsoNormal><span style='font-size:11.0pt;font-family:"Tahoma","sans-serif"'><o:p> </o:p></span></p></div></body></html>