<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div></div><div><br></div><div>On May 2, 2014, at 10:06 AM, Francesco Pietra <<a href="mailto:chiendarret@gmail.com">chiendarret@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr"><div><div>Sorry, I had overlooked the option of changing residue name. So, what only remains is whether there is a tool for quicker capping.<br></div>thanks<br></div>francesco pietra<br><div><br><div class="gmail_quote">
---------- Forwarded message ----------<br>From: <b class="gmail_sendername">Francesco Pietra</b> <span dir="ltr"><<a href="mailto:chiendarret@gmail.com">chiendarret@gmail.com</a>></span><br>Date: Fri, May 2, 2014 at 6:51 PM<br>
Subject: patching ACE NME<br>To: chimera <<a href="mailto:chimera-users@cgl.ucsf.edu">chimera-users@cgl.ucsf.edu</a>><br><br><br><div dir="ltr"><div><div><div><div><div>Hello;<br></div>In parameterizing a new metal cluster, I would like to patch the various amino acids (which stand isolated from one another) with what are called by AMBER ACE and NME. I would like to do that within the whole block, not for each amino acid isolated from the block. Also, I would like to avoid tleap, which gets into troubles here.<br>
<br></div>I could do that by modifying structure, but a problem arises of residue names, i.e, the original residue takes the name ACE or NME, or viceversa the capping groups take the name of the amino acid being capped.<br>
<br></div>Is there a specific tool with chimera?<br><br></div>thanks<span class="HOEnZb"><font color="#888888"><br><br></font></span></div><span class="HOEnZb"><font color="#888888">francesco pietra</font></span></div></div></div></div></blockquote><br></div><div apple-content-edited="true"><span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px; font-size: 16px; "><br class="Apple-interchange-newline"></span>
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