Re: [PyMOL] moving objects

2015-04-29 Thread Sampson, Jared
Hi Marcelo -

Is Object 2 actually a pseudoatom?  Or, if not, can it be placed separately 
from Object 1?  If either of those are the case, it would be much easier to 
place the pseudoatom at a point equidistant from the two ends of Object 1 than 
mess with rotation matrices, etc.  Here’s what I worked out.


# get a long protein, e.g. collagen
fetch 1bkv, async=0
as cartoon

# place a couple helper pseudoatoms at the ends of the collagen 
(approximately)
pseudoatom nterm, resi 2+31+61, vdw=2
pseudoatom cterm, resi 30+60+90, vdw=2
select ends, nterm or cterm
show spheres, ends

# orient the helper pseudoatoms along one of the display axes (usually ends up 
being x)
orient ends

# place another helper pseudoatom at the midpoint of the object
pseudoatom obj_b, ends, vdw=4
show spheres, obj_b

# move it (e.g.) 50Å away
translate [0,0,-50], obj_b

# make sure it looks right
orient ends or obj_b


You could then load your “real” Object 2 (if necessary) and move it to the 
obj_2 pseudoatom using a combination of `origin` and the COM script 
(http://www.pymolwiki.org/index.php/Com), for example.  Haven’t tested that, 
but it should be possible.

Hope that helps!

Cheers,
Jared

--
Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
http://kong.med.nyu.edu/

On Apr 28, 2015, at 1:57 PM, Marcelo Marcet 
mmar...@nait.camailto:mmar...@nait.ca wrote:

Hi Pymol Users,

I have 2 objects (objects 1 and 2) and I would like to re-orient object 1 so 
that the distance from either end of object 1 becomes the same to object 2 (see 
image). Is there a way to achieve this in PyMol?

I have tried using the mouse in edit mode and I have tried using the 
rotate/translate commands. Neither method can move object 1 without altering 
the position of the lower end of object 1.

Regards,
Marcelo

image.jpeg
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[PyMOL] moving objects

2015-04-28 Thread Marcelo Marcet
Hi Pymol Users,

I have 2 objects (objects 1 and 2) and I would like to re-orient object 1 so 
that the distance from either end of object 1 becomes the same to object 2 (see 
image). Is there a way to achieve this in PyMol?

I have tried using the mouse in edit mode and I have tried using the 
rotate/translate commands. Neither method can move object 1 without altering 
the position of the lower end of object 1.

Regards,
Marcelo

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[PyMOL] moving objects freely

2007-10-04 Thread Tom
From time to time, I have a need to manually move objects relative to
one another.  For example, manual docking of a ligand requires that it the
translated and rotated relative to its binding pocket.  It there a simple,
intuitive way to do this?

 

Thank a lot,

 

Tom Leyh

 

Professor of Biochemistry

The Albert Einstein College of Medicine



Re: [PyMOL] moving objects freely

2007-10-04 Thread Robert Campbell
Hi Tom,

On Thu, 04 Oct 2007 11:20:35 -0700, Tom tl...@optonline.net wrote:

 From time to time, I have a need to manually move objects relative to
 one another.  For example, manual docking of a ligand requires that it the
 translated and rotated relative to its binding pocket.  It there a simple,
 intuitive way to do this?

Put the mouse in editing mode (either through the Mouse menu in the
external GUI or by clicking anywhere in the bottom right region of the
graphics window where the mouse functions are described).  Then while
holding down the Shift button the left and middle mouse buttons can be
used to rotate and translate an object.  Just make sure your mouse is over
the object you want to move when you press the mouse button.

Just be careful that you haven't picked an atom within the moving object,
or that atom will not move.

Cheers,
Rob
-- 
Robert L. Campbell, Ph.D.
Senior Research Associate/Adjunct Assistant Professor 
Botterell Hall Rm 644
Department of Biochemistry, Queen's University, 
Kingston, ON K7L 3N6  Canada
Tel: 613-533-6821Fax: 613-533-2497
robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc



Re: [PyMOL] moving objects freely

2007-10-04 Thread DeLano Scientific
The drag action provides an easier to use solution.  Right click on the
atom, select molecule/chain/object then drag.

From that point on, shift-left, shift-middle, and shift-right click can be
used to move those atoms.

--
DeLano Scientific LLC
Subscriber Support Services
mailto:del...@delsci.info
 
Not yet a PyMOL Subscriber, but want to support the project?  Email
sa...@delsci.com to quote your lab, school, or employer.  Thank you for
sponsoring this open-source endeavor! -WLD
 

 -Original Message-
 From: pymol-users-boun...@lists.sourceforge.net 
 [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf 
 Of Robert Campbell
 Sent: Thursday, October 04, 2007 10:22 AM
 To: pymol-users@lists.sourceforge.net
 Subject: Re: [PyMOL] moving objects freely
 
 Hi Tom,
 
 On Thu, 04 Oct 2007 11:20:35 -0700, Tom tl...@optonline.net wrote:
 
  From time to time, I have a need to manually move 
 objects relative 
  to one another.  For example, manual docking of a ligand 
 requires that 
  it the translated and rotated relative to its binding pocket.  It 
  there a simple, intuitive way to do this?
 
 Put the mouse in editing mode (either through the Mouse 
 menu in the external GUI or by clicking anywhere in the 
 bottom right region of the graphics window where the mouse 
 functions are described).  Then while holding down the 
 Shift button the left and middle mouse buttons can be used 
 to rotate and translate an object.  Just make sure your mouse 
 is over the object you want to move when you press the mouse button.
 
 Just be careful that you haven't picked an atom within the 
 moving object, or that atom will not move.
 
 Cheers,
 Rob
 --
 Robert L. Campbell, Ph.D.
 Senior Research Associate/Adjunct Assistant Professor 
 Botterell Hall Rm 644 Department of Biochemistry, Queen's 
 University, Kingston, ON K7L 3N6  Canada
 Tel: 613-533-6821Fax: 613-533-2497
 robert.campb...@queensu.ca
 http://pldserver1.biochem.queensu.ca/~rlc
 
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RE: [PyMOL] Moving Objects

2004-05-13 Thread Warren DeLano
Yes,

Assuming you're running 0.95:

Put the mouse into Editing Mode (Mouse menu or click on the mouse matrix).

Insure that no atoms are currently picked (i.e. there are no pk
selections).  Click unpick if there are...

You can now independently rotate and translate objects with
shift-left-click-and-drag and shift-middle-click-and-drag.

To rotate fragments of an object, pick one or atoms with ctrl-middle-click
(or right-double-click).  The picked atoms become the joints which separate
fragments that are independently movable and rotatable.

If you click and drag on a picked atom, then you will be able to
independently translate or rotate the complete covalent system (molcule)
which contains that atom.

Instead of clicking unpick you can ctrl-middle-click (or
double-right-click) away from any atom in order to clear the current picked
atom set.

Cheers,
Warren

--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154 
Fax   (650)-593-4020
  

 -Original Message-
 From: pymol-users-ad...@lists.sourceforge.net 
 [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of 
 Tony Giannetti
 Sent: Wednesday, May 12, 2004 11:45 PM
 To: pymol-users@lists.sourceforge.net
 Subject: [PyMOL] Moving Objects
 
 Hey fellow PyMoler's,
 If you have multiple objects loaded and on screen at 
 once, is it possible to rotate one without rotating the 
 others?  I've had success using rotate and translate commands 
 with selections, and it works, but it can be slow with lots 
 of objects.  In Swiss-PDB viewer, you are allowed to lock 
 layers and then continue working with the other ones with the 
 mouse.  This would also be similar to 'move-object-zone' in O 
 where the dials are locked onto a single object.  I was 
 wondering if PyMol has a functionality like this and how it 
 can be activated.  I'm interested in this both for still 
 frame images and for possible animations where one or two 
 objects move relative to other ones.
 Thanks,
 Tony
 
 
 
 
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[PyMOL] moving objects independently?

2002-07-29 Thread Richard Kho
Dear Pymolers,

I am trying to manually superimpose a couple of structures that are 
simultaneously opened in Pymol.  I can't figure out how to move one structure 
independent of the other.  Is there a way to select just one object, move it 
with the mouse, deselect it, select the other object, move it, etc?  Help would 
be much appreciated.  Thank you!


richard
Triad Therapeutics, Inc.
9381 Judicial Dr., Suite 200
San Diego, CA 92121
r...@triadt.com
858-964-1575
858-457-7893 fax