Re: [Jmol-users] set picking rotate bond broken ?

2015-11-11 Thread Otis Rothenberger
Paul, Don’t forget that when you do that, you’ll be freezing the model. I decided that I could live with that for my purposes: http://chemagic.com/molecules/mini.html Click the Rotate Bond button. With multiple models in the window, the combination of the Rotate Bond button and the Move but

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-11 Thread Paul PILLOT
Thanks Otis ! your answer pointed me to a description of the gesture I was looking for : MAJ+Left_click I’ll follow your lead and change the combination to a simple click so that touch screen users could use this feature. Paul > Le 11-11-2015 à 20:39, CheMagic a écrit : > > Paul, > > I do thi

Re: [Jmol-users] set picking rotate bond broken ?

2015-11-11 Thread CheMagic
Paul, I do this type of rotation by another method because I want it to work on a touch screen, so I may be wrong on this point (below) with the set picking rotatebond: I think you still have to make the binding using the bind command. Are you using the bind command to bind to a specific mouse

[Jmol-users] set picking rotate bond broken ?

2015-11-11 Thread Paul PILLOT
Hi, I am wondering if the « set picking rotatebond » command is broken ? I’ve tried bot with the application (v 14.5.0_2015.11.06) and the HTML5 jsmol flavour Bonds are selected by picking, but I can’t rotate any group from either side of the bond. Am I missing something (key modifier for example

Re: [Jmol-users] rotation matrix calculation

2015-11-11 Thread Robert Hanson
On Wed, Nov 11, 2015 at 5:37 AM, Angel Herráez wrote: > Dear Jmol experts, > > You'd know I've never managed to grasp the quaternion math in JmolScript, I > am hoping I can solve this problem without it --or with help from some of > you. > > 1. I have two pdb files of (partially) the same protein

Re: [Jmol-users] Request for help: Outlines for atoms (and bonds)

2015-11-11 Thread Matthew Wolf
Dear Angel and Paul, For some reason I didn't receive your replies to my email, and it doesn't appear to be possible to reply to them via the online archive, so apologies for (presumably) starting a new thread with this email. Anyway, thanks very much for your suggestions, which I copy below.

[Jmol-users] rotation matrix calculation

2015-11-11 Thread Angel Herráez
Dear Jmol experts, You'd know I've never managed to grasp the quaternion math in JmolScript, I am hoping I can solve this problem without it --or with help from some of you. 1. I have two pdb files of (partially) the same protein, that I need to align. This I can do using the "compare" command