Re: [Jmol-users] Rotate Selected

2013-02-20 Thread Otis Rothenberger
Bob, I tried that, and it works with mouse control on my desktop, but the iPad has a problem. For the desktop/mouse, I can bind _rotateSelected to LEFT, and pick up the click/select of a model with a hover call back. Binding LEFT to _rotateSelected evidently loses the original click select of

Re: [Jmol-users] Rotate Selected

2013-02-20 Thread Robert Hanson
why isn't it just bind "LEFT" "_rotateSelected" ? On Wed, Feb 20, 2013 at 9:46 AM, Otis Rothenberger wrote: > Bob, > > To set up rotation of selected models on an iPad, I have to bind "LEFT" to > the rotation so that I can eliminate the need for a modifier key. I'm using > the following bindin

[Jmol-users] Rotate Selected

2013-02-20 Thread Otis Rothenberger
Bob, To set up rotation of selected models on an iPad, I have to bind "LEFT" to the rotation so that I can eliminate the need for a modifier key. I'm using the following binding: bind "LEFT" "rotateSelected Y @{_DELTAX*2};rotateSelected X @{_DELTAY*2}" No matter what I use as a multiplier, I'm

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-23 Thread Alexander Rose
Hi, I finally got time to test it and it works like a charm. Thank you Bob! Alex - Ursprüngliche Mail - > Von: "Robert Hanson" > An: jmol-users@lists.sourceforge.net > Gesendet: Dienstag, 9. November 2010 14:24:26 > Betreff: Re: [Jmol-users] rotate selected atoms

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-14 Thread Paul Pillot
Curious about the "set picking dragmolecule" and the "compare" commands, I have just made some tests with the latest jmol.jar file from Bob's repository (12.1.22_dev). I used a beta globin and an alpha globin pdb files, loaded in 2 different frames the "set picking dragmolecule" command works fi

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-09 Thread Otis Rothenberger
ailto:osrot...@chemagic.com>> > An: jmol-users@lists.sourceforge.net <mailto:jmol-users@lists.sourceforge.net> > Gesendet: Dienstag, 9. November 2010 06:06:00 > Betreff: Re: [Jmol-users] rotate selected atoms using the mouse > Hi Alexander and Bob- &g

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-09 Thread Robert Hanson
on does not matter. Pick/drag the >> protein chain a moves just the protein chain a. Pick/drag plm moves the >> protein chain a and all bond non protein molecules, including plm. This is >> asymmetric, is there a rationale for that? Actually I do not mind, I just >> want a wa

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-09 Thread Robert Hanson
rotate, translate) only selected atoms using the mouse. > > > > - Ursprüngliche Mail - > > Von: "Otis Rothenberger" > > An: jmol-users@lists.sourceforge.net > > Gesendet: Dienstag, 9. November 2010 06:06:00 > > Betreff: Re: [Jmol-users] rotate selecte

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-09 Thread Alexander Rose
- > Von: "Otis Rothenberger" > An: jmol-users@lists.sourceforge.net > Gesendet: Dienstag, 9. November 2010 06:06:00 > Betreff: Re: [Jmol-users] rotate selected atoms using the mouse > Hi Alexander and Bob- > > I'm going to go out on a limb here and say that

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Otis Rothenberger
Oh my. I had forgotten about this. If you actually open Bob's Jmol model kit mode, turn the substrate pink: set modelKitMode;set selectHetero on;select hetero;color pink and use the drag (shift to rotate) commands to move the substrate slightly out of place, then the drag/minimize command will

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Otis Rothenberger
Hi Alexander and Bob- I'm going to go out on a limb here and say that I think Alexander wants to do something that's not as complex as it seems. While my description below uses the links on my page, I am really just using Jmol's model kit mode commands. I'll use lactose permease (courtesy of

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Robert Hanson
That's going to rotate the atoms about a specific molecular axis. Do you want it to rotate about a specific window axis, regardless of how the model is oriented? Is that the problem? There might be a way of doing that with quaternions. On Mon, Nov 8, 2010 at 12:39 PM, Alexander Rose wrote: > Hi

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Otis Rothenberger
Alexander, I'm still a little confused about your objective. Try this. Go to: http://chemagic.com/web_molecules/script_page_large.aspx Click the Molecular Editor link. Click "duplicate." There are now two models in the window. Click "move." After you click "move," either model can be click/dr

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Alexander Rose
Hi Otis, Am 08.11.2010 um 20:22 schrieb Otis Rothenberger: > Hi Alexander- > > I'm not sure exactly what you want to do, but if you want to > independently translate or rotate non-bonded models, or rotate about a > given bond (i.e. conformation rotation), then there is a really simple > way t

Re: [Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Otis Rothenberger
Hi Alexander- I'm not sure exactly what you want to do, but if you want to independently translate or rotate non-bonded models, or rotate about a given bond (i.e. conformation rotation), then there is a really simple way to do either of these. 1) With one or more models in the same window, the

[Jmol-users] rotate selected atoms using the mouse

2010-11-08 Thread Alexander Rose
Hi, >From the manual "set allowRotateSelected FALSE When set TRUE, this parameter allows user rotation of the molecule containing the selected atom using the mouse (holding ALT down while dragging). The coordinates of the rotated molecule will be sightly degraded in this process." I would li

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-05-01 Thread Chris Foley
I really just want to use it as a quick and dirty way of editing molecules without having to script each change -- especially for macromolecules where the general shape can be more important for visualisation than precise bond angles. It's certainly a niche feature and if it's not intended to b

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-04-30 Thread Robert Hanson
ah, ok. I see. Hard to believe this is going to be useful, considering the degrees of freedom. How do you figure it will be used? On Thu, Apr 30, 2009 at 9:26 AM, Chris Foley wrote: > I'm afraid not. It appeared to work when the water molecule was selected. > But all the atoms of HOH were selec

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-04-30 Thread Chris Foley
I'm afraid not. It appeared to work when the water molecule was selected. But all the atoms of HOH were selected. When I tried selecting a methyl group (select c13,h16,h17,h18) the whole caffeine molecule was rotated. In case it helps, I used Windows XP, Sun Java plugin 1.6.0_13 on Internet Ex

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-04-30 Thread Robert Hanson
Did it work at http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm # 30? On Thu, Apr 30, 2009 at 5:54 AM, Chris Foley wrote: > Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I > can't get the rotation to work. I can translate the atoms as you describe > but can't rot

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-04-30 Thread Chris Foley
Thanks for the reply Robert. I downloaded 11.7.33 but unfortunately I can't get the rotation to work. I can translate the atoms as you describe but can't rotate them. Also, is it possible to change the point the atoms rotate around? The kind of thing I want to do is rotate a group around the a

Re: [Jmol-users] Rotate selected atoms with the mouse

2009-04-29 Thread Robert Hanson
It's in there, at least for Jmol 11.7. See http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm 30. selective atom rotation and translation # Using set dragSelected in Jmol 11.7.25 you can move selected atoms around, translating them with ALT-SHIFT-LEFT mouse and rotating them around their ge

[Jmol-users] Rotate selected atoms with the mouse

2009-04-29 Thread Chris Foley
Hi Jmol users, I would like to be rotate the selected atoms with the mouse. The rotateSelected command is almost perfect... but only works via scripting, not mouse interaction. The "allowrotateselected = true" setting is also close but rotates the entire molecule, not just the selected atoms.