<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Hi Felipe,<div class=""><br class=""></div><div class=""> If your aim is to get a measure of the size of the ligand you could use “measure inertia ligand”. That shows an ellipsoid that matches the inertia of the atoms which is usually a decent approximation to the shape, and the radii along the 3 ellipse axes are reported in the Reply Log (in menu Favorites) as a, b, c.</div><div class=""><br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>open 2gbp</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>measure inertia ligand</div><div class=""><br class=""></div><div class=""><div class="">Inertia axes for 2gbp 12 atoms</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>v1 = 0.710 0.376 -0.595 a = 4.106 r1 = 1.511</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>v2 = -0.671 0.106 -0.734 b = 3.321 r2 = 1.857</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>v3 = -0.213 0.921 0.328 c = 0.619 r3 = 2.362</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>center = 37.399 30.587 49.61</div></div><div class=""><br class=""></div><div class="">Longest axis is 2*a = 8.2 Angstroms.</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""> If you really want the maximum pairwise distance then a simple Python script (attached) will do this.</div><div class=""><br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>open 2gbp</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>select ligand</div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>open maxdist.py</div><div class=""><br class=""></div><div class="">Reply Log shows</div><div class=""><br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>Maximum distance between pairs of atoms among 12 atoms is 6.31 for #0:310.A@O6 and #0:310.A@O2</div><div class=""><br class=""></div><div class=""> Tom</div><div class=""><br class=""></div><div class=""></div></body></html>