<html><body><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Sorry, the mail was sent early...</div><div><br data-mce-bogus="1"></div><div>Link : <a href="https://reuter-group.github.io/peprmint/pepr2vis">https://reuter-group.github.io/peprmint/pepr2vis</a></div><div>Also, one of our previous internship student has developped a convexhull pluggin for Chimera (not chimeraX, maybe it can be adapted....) : <a href="https://git.app.uib.no/reuter-group/protrusions_msc_florian/-/tree/master/convexhull_plugin">https://git.app.uib.no/reuter-group/protrusions_msc_florian/-/tree/master/convexhull_plugin</a> </div><div><br data-mce-bogus="1"></div><div>Best,</div><div>Thibault.</div><div><br></div><hr id="zwchr" data-marker="__DIVIDER__"><div data-marker="__HEADERS__"><b>De: </b>"Thibault TUBIANA" <thibault.tubiana@i2bc.paris-saclay.fr><br><b>À: </b>"ChimeraX Users Help" <chimerax-users@cgl.ucsf.edu>, "Elaine Meng" <meng@cgl.ucsf.edu><br><b>Cc: </b>"Tianming Qu" <tqu@fsu.edu><br><b>Envoyé: </b>Dimanche 9 Octobre 2022 11:17:38<br><b>Objet: </b>Re: [chimerax-users] Can you do convex hull on ChimeraX?<br></div><div><br></div><div data-marker="__QUOTED_TEXT__"><div style="font-family: arial, helvetica, sans-serif; font-size: 12pt; color: #000000"><div>Hi!</div><br><div>just adding something to this, my previous postdoc team have developped a webinterface to visualise convexhull with molstar.</div><div>Not the best of course because it's not chimeraX, but you might want to have a look for ChimeraX</div><br><br><hr id="zwchr"><div><b>De: </b>"Elaine Meng via ChimeraX-users" <chimerax-users@cgl.ucsf.edu><br><b>À: </b>"Tianming Qu" <tqu@fsu.edu><br><b>Cc: </b>"chimerax-users" <chimerax-users@cgl.ucsf.edu><br><b>Envoyé: </b>Vendredi 7 Octobre 2022 17:42:23<br><b>Objet: </b>Re: [chimerax-users] Can you do convex hull on ChimeraX?<br></div><br><div>Hi Tianming,<div class="">Sorry, ChimeraX does not include calculation of the Voronoi diagram or convex hull of a structure.</div><div class=""><br class=""></div><div class="">I thought maybe a molecular surface calculated with very large probe radius might produce something similar, but this is not the normal usage of the command and is VERY slow. This took maybe one minute on a medium-sized protein:</div><div class=""><br class=""></div><div class="">surface probe 10</div><div class=""><br class=""></div><div class="">...and this took several minutes on 1r3j:</div><div class=""><br class=""></div><div class="">surface probe 25</div><div class=""><br class=""></div><div class="">Also I'm not sure the result would be adequate for your purposes. Picture of the probe-25 test attached. By default it makes a separate surface for each chain, although you can use command options to put all the chains into one surface.</div><div class=""><br class=""></div><div class="">Best,</div><div class="">Elaine</div><div class=""><div class="">-----<br class="">Elaine C. Meng, Ph.D. <br class="">UCSF Chimera(X) team<br class="">Department of Pharmaceutical Chemistry<br class="">University of California, San Francisco<br class=""><br class=""><img id="2C98CA84-4732-41C3-8513-F9B4914B6B1C" width="204" height="320" src="cid:AFAA49C9-1FBA-4B77-82A0-9D0DB307A5AC" class=""><br class=""><br class=""></div><br class=""><blockquote class="">On Oct 7, 2022, at 6:49 AM, Tianming Qu via ChimeraX-users <<a href="mailto:chimerax-users@cgl.ucsf.edu" class="" target="_blank">chimerax-users@cgl.ucsf.edu</a>> wrote:<br class=""><br class="">Hi dear ChimeraX-Users and developers,<br class=""> <br class="">Is ChimeraX available for drawing the convex hull of protein structures?<br class=""> <br class="">Best,<br class="">Tianming<br class=""></blockquote><br class=""></div><br>_______________________________________________<br>ChimeraX-users mailing list<br>ChimeraX-users@cgl.ucsf.edu<br>Manage subscription:<br>https://www.rbvi.ucsf.edu/mailman/listinfo/chimerax-users</div></div><br></div></div></body></html>