<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Hi Józef,<div class=""><br class=""></div><div class=""> I guess you are rotating bonds of small molecules and want to control which end moves. We don't have any support for options that change the behavior of mouse modes (or VR modes) right now, although this has come up a lot that users want a slightly different mouse mode behavior, so I hope in the future to support mouse mode options. While the torsion command that rotates bonds has a "move small / large" option the bond rotation mouse mode always moves the small end.</div><div class=""><br class=""></div><div class=""> For now you can hack ChimeraX Python to do what you want. First find the bond rotation mouse mode code, on Windows it will be</div><div class=""><br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>chimerax/bin/lib/site-packages/chimerax/atomic/bond_rot/mouse_rot.py</div><div class=""><br class=""></div><div class="">The code change to move the large size actually isn't too obvious, I had to do some spelunking to find it, but you would add a line to the code changing</div><div class=""><br class=""></div><div class=""><div class=""> br = self.session.bond_rotations.new_rotation(pick.bond)</div><div class=""> self.session.logger.status('Rotating bond %s' % str(pick.bond))</div><div class=""><br class=""></div><div class="">to</div><div class=""><div class=""> br = self.session.bond_rotations.new_rotation(pick.bond)</div><div class=""> br.moving_side = br.bond.other_atom(br.moving_side) # Move the large side</div><div class=""> self.session.logger.status('Rotating bond %s' % str(pick.bond))</div></div><div class=""><br class=""></div><div>Keep the indentation the same since that is important in Python. Then the bond rotation mouse mode will always move the large side.</div><div><br class=""></div><div> But I guess you really want to control which side rotates. So how about in VR we move the side the hand controller is closest to when you click the bond? To do that instead of the above change I would change the vr_press() routine adding some lines, from</div><div><br class=""></div><div><div> def vr_press(self, event):</div><div> # Virtual reality hand controller button press.</div><div> pick = event.picked_object(self.view)</div><div> self._bond_rot = self._bond_rotation(pick)</div><div class=""><br class=""></div><div class="">to</div><div class=""><br class=""></div><div class=""><div class=""> def vr_press(self, event):</div><div class=""> # Virtual reality hand controller button press.</div><div class=""> pick = event.picked_object(self.view)</div><div class=""> self._bond_rot = self._bond_rotation(pick)</div><div class=""><br class=""></div><div class=""> # Move the side of the bond the VR click is closest to.</div><div class=""> br = self._bond_rot</div><div class=""> atom1 = br.moving_side</div><div class=""> atom2 = br.bond.other_atom(atom1)</div><div class=""> p = event.tip_position</div><div class=""> from chimerax.core.geometry import distance</div><div class=""> if distance(p, atom2.scene_coord) < distance(p, atom1.scene_coord):</div><div class=""> br.moving_side = atom2 # Switch to moving the atom2 side</div></div><div class=""><br class=""></div><div class="">A drawback of these Python hacks is that when you update your ChimeraX it won't have your code modifications. To make it easier to add this modification I've put it into our code but it is disabled by default since mostly people rotate protein side-chain bonds and they don't want the large side (ie whole protein chain) rotating. To enable it I put a flag in the vr_press() routine move_closer_side that you can change from False to True, simplifying your code edit.</div><div class=""><br class=""></div><div class=""><span class="Apple-tab-span" style="white-space:pre"> </span>Tom</div><div class=""><br class=""></div></div><div><br class=""><blockquote type="cite" class=""><div class="">On Dec 6, 2019, at 9:21 AM, Lewandowski, Jozef <<a href="mailto:J.R.Lewandowski@warwick.ac.uk" class="">J.R.Lewandowski@warwick.ac.uk</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class="WordSection1" style="page: WordSection1; caret-color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none;"><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">Hi,<span class="Apple-converted-space"> </span><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">Is there a way to change the option from the default “move small” to “move large” of the Bond rotation tool in VR?<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">Ideally, it would be great if I could switch between these options on the fly with some combination of buttons on the controllers.<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">If nothing like that is implemented is there a way I could change the “move” default for the Bond rotation tool in VR using the command line?<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">Thanks,<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">Józef<o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class=""><o:p class=""> </o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span style="font-size: 11pt;" class="">------------------------------------------------------------------------------------------------------<o:p class=""></o:p></span></div><div class=""><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><b class=""><span lang="EN-US" style="font-size: 10pt;" class="">Józef R. Lewandowski</span></b><b class=""><span lang="EN-US" style="font-size: 10pt; font-family: PMingLiU, serif;" class=""><br class=""></span></b><span lang="EN-US" style="font-size: 10pt;" class="">Professor | Department of Chemistry | </span><span lang="EN-US" style="font-family: "Times New Roman", serif;" class=""><a href="http://www2.warwick.ac.uk/" class=""><span style="font-size: 10pt; font-family: Calibri, sans-serif;" class="">University of Warwick</span></a></span><span lang="EN-US" style="font-size: 10pt;" class=""><br class=""></span><span lang="EN-US" style="font-family: "Times New Roman", serif;" class=""><a href="mailto:j.r.lewandowski@warwick.ac.uk" title="mailto:j.r.lewandowski@warwick.ac.uk" class=""><span style="font-size: 10pt; font-family: Calibri, sans-serif;" class="">j.r.lewandowski@warwick.ac.uk</span></a></span><span lang="EN-US" style="font-size: 10pt;" class=""> | External: +44 (0) 24 76151355 | Internal: 51355 </span><span style="" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span lang="EN-US" style="font-size: 10pt;" class="">Millburn House: F07 | Coventry CV4 7AL | </span><span lang="EN-US" style="font-family: "Times New Roman", serif;" class=""><a href="http://www2.warwick.ac.uk/about/visiting/maps/interactive/" class=""><span style="font-size: 10pt; font-family: Calibri, sans-serif;" class="">Find us on the interactive map</span></a></span><span style="" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; font-size: 12pt; font-family: Calibri, sans-serif;" class=""><span lang="EN-US" style="font-size: 10pt;" class=""><a href="https://www2.warwick.ac.uk/fac/sci/chemistry/research/lewandowski/lewandowskigroup/" class=""><span style="" class="">Lewandowski group website</span></a> | <a href="http://www2.warwick.ac.uk/fac/sci/physics/research/condensedmatt/nmr/" class=""><span style="" class="">Warwick solid-state NMR group website</span></a></span><span style="" class=""><o:p class=""></o:p></span></div><div style="margin: 0cm 0cm 0.0001pt; 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