<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>On Nov 25, 2012, at 6:10 PM, Rebecca Swett wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>Is there any way to get a list of all the members of each cluster when using the tool Ensemble Cluster?<br>Basically i'm looking to run the clustering bit, and then write a list -cluster 1 members:1-3,4-8, etc. for all<br>clusters produced. Anyone out there have any suggestions? Thanks for anything you've got. I think<br>I could get it by manually going through: choosing a cluster, selecting it, and then using the write list function with<br>a custom identifier, but i've got a lot of these to handle.</div></blockquote><br></div><div>Hi Rebecca,</div><div><span class="Apple-tab-span" style="white-space:pre"> </span>I recently added a "Save" button to the MD Movie's clustering dialog, and I just now adapted/added that code to Ensemble Cluster. So if you get tonight's daily build (i.e. a daily build dated after 11/21) then the Ensemble Cluster tool will have a "Save" button that will allow you to save the clustering info to a file. If you want to get the info right away, use the MD Movie tool to open your multi-model PDB file as a trajectory and you will be able to use it's clustering dialog (in it's Analysis menu) to save the info.</div><div><br></div><div>--Eric</div><br><div>
<span class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 16px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; "><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>Eric Pettersen</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> <span class="Apple-converted-space"> </span></span>UCSF Computer Graphics Lab</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="5" style="font: 16.0px Helvetica"><span class="Apple-converted-space"> </span><a href="http://www.cgl.ucsf.edu">http://www.cgl.ucsf.edu</a></font></p><br class="Apple-interchange-newline"></span>
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