Re: [PyMOL] Moveable Camera

2010-05-13 Thread Tsjerk Wassenaar
Hi Tom,

Okay, I thought you wanted to trace out a path through space for the
camera. But for your purpose, it doesn't matter how the things are
defined internally. That's just a matter of representation, which can
be interconverted.

What you really want is to place the center of your active site at the
position of the camera (which has the same effect of doing it the
other way around :p). I'm not sure whether there's a shortcut to it.
But you can do it manually. First center the scene on your active
site, and then move the scene to set the offset from the camera to
zero:

center my_active_site_selection
cmd.move('z',-cmd.get_view()[11])

Hope it helps... and sorry for the confusion :)

Cheers,

Tsjerk

On Thu, May 13, 2010 at 1:28 AM, Tom Dupree
t.dup...@student.unsw.edu.au wrote:
 Thank you everyone for giving me your time,

 I think I failed to explain what I am trying to do correctly/clearly...or I 
 simply do not understand your answers, either is possible :)

 What I really want is to be able to explore binding sites from inside the 
 binding site.

 Take a room with a couch and a lamp in it, pymol allows me to look at the 
 room from the outside from a wide range of perspectives and angles looking in 
 at the room, it also allows me with clipping planes to remove (from view) 
 walls so that I can see the contents of the room. I want to be able to walk 
 into the room and turn around in the room looking out (and to move around in 
 that room).

 As far as I understand it I can use the scene commands to switch from one 
 preset view to another which is good, but my problem is I want free movement 
 like you have when you turn/rotate your views.

 A better description is a to load up the molecule and then use a no-clipping 
 mode of a first person computer game to move through and around it.

 My problem is that pymol (seems) to always have a fixed point that the camera 
 is looking at (wrt turning). It is this property that I am trying to get away 
 from/change. Is there a way to turn the look at vector x degrees horizontal 
 and y degrees vertical?

 Tom

 -Original Message-
 From: Bard, Joel [mailto:joel.b...@pfizer.com]
 Sent: Wednesday, 12 May 2010 11:38 PM
 To: Tom Dupree; pymol-users@lists.sourceforge.net
 Subject: RE: [PyMOL] Moveable Camera

 Tom-

 Take a look at slerpy: http://pymolwiki.org/index.php/Slerpy

 It was written to do exactly what you describe...and of course it is the
 camera that moves.  The coordinates of the molecule are not changed
 unless you go into edit mode.

 Best,

 Joel

 -Original Message-
 From: Dupree Tom [mailto:t.dup...@student.unsw.edu.au]
 Sent: Tuesday, May 11, 2010 8:27 PM
 To: Bard, Joel; pymol-users@lists.sourceforge.net
 Subject: [PyMOL] Moveable Camera

 Hello everyone,

 I am trying to do something that seems a little uncommon. I wish to have
 a moveable camera. So instead of rotating/translating the
 protein/molecule/DNA I move the camera point/location and the vector
 that the camera points in. I wish to be able to move into the molecule
 and view binding pockets from the perspective of the molecule. I have
 tried a few web searches on this and thought I would ask everyone here
 if they have heard of something similar?

 I am currently trying to find some 3d modelling software that will load
 a .PDB file so that I can export it to a game engine (Unreal development
 kit) as a back up method if all else fails.

 Thanks for your time,

 Tom
 
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
Groningen Institute for Biomolecular Research and Biotechnology
University of Groningen
The Netherlands

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Re: [PyMOL] Moveable Camera

2010-05-12 Thread Jason Vertrees
Hi all,

PyMOL allows for both camera and object coordinate changes.  When you
use the mouse to move stuff around, that's the camera moving*--just
like the 'turn' command.  When you use rotate, object dragging or
some of the other matrix transformation commands (fit, super, align,
matrix_copy, update, etc) you are affecting the coordinates of the
objects themselves.

Try the following ton convince yourself:

# get a protein
fetch 1oky, async=0

# the original view matrix
get_view

# move the camera  get view
turn x, 90
get_view

# rotate 1oky  get view
rotate x, 90, 1oky
get_view

Compare the values after turning vs rotating.

This brings up another point, for large molecular assemblies, it's
much faster internally to use 'turn' rather than 'rotate'.  'Turn' is
simply a matrix multiplication, the other is that and storing the new
coordinates back into the object.

Cheers,

-- Jason

* -- you can move objects themselves with the mouse, but only in
editing or dragging mode

On Wed, May 12, 2010 at 4:27 AM, Tsjerk Wassenaar tsje...@gmail.com wrote:
 Hi Robert,

 PyMOLhelp rotate

 DESCRIPTION

    rotate can be used to rotate the atomic coordinates of a
    molecular object.  Behavior differs depending on whether or not the
    object parameter is specified.

 snip

 So much for rotate. The help for turn is misleading:

 PyMOLhelp turn

 DESCRIPTION

    turn rotates the camera about one of the three primary axes,
    centered at the origin.

 snip

 It does not turn the camera, actually. It changes the orientation of
 the scene with respect to the camera. The effect is the same, and you
 can interconvert. That is the basis for the povray macros I wrote some
 while ago to combine things in object space with those in the pymol
 camera space in the exported scene.

 Cheers,

 Tsjerk

 On Wed, May 12, 2010 at 9:21 AM, Robert Fenwick
 robert.fenw...@irbbarcelona.org wrote:

 What is the difference between the turn and the rotate commands?
 On 12 May 2010, at 06:21, Tsjerk Wassenaar wrote:

 Hi Mike, Tom,

 If I'm not mistaken, it is always the camera that is moving when you rotate

 a molecule.

 Unfortunately I have to inform you that you are mistaken... In Pymol
 the camera is always fixed. That also means that it is not possible to
 have the camera fly through the protein.

 But there isn't really any difference with the protein flying around
 the camera. You can interconvert object oriented view and camera
 oriented view. Have a look at http://pymolwiki.org/index.php/Get_view,
 http://pymolwiki.org/index.php/Set_view and
 http://pymolwiki.org/index.php/Scene for starters.

 Hope it helps,

 Tsjerk


 Hello everyone,

 I am trying to do something that seems a little uncommon. I wish to have a

 moveable camera. So instead of rotating/translating the protein/molecule/DNA

 I move the camera point/location and the vector that the camera points in. I

 wish to be able to move into the molecule and view binding pockets from the

 perspective of the molecule. I have tried a few web searches on this and

 thought I would ask everyone here if they have heard of something similar?

 I am currently trying to find some 3d modelling software that will load a

 .PDB file so that I can export it to a game engine (Unreal development kit)

 as a back up method if all else fails.

 Thanks for your time,

 Tom

 --

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 --

 Michael Zimmermann

 Ph.D. student in Bioinformatics and Computational Biology

 Department of Biochemistry, Biophysics and Molecular Biology

 Iowa State University

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 --
 Tsjerk A. Wassenaar, Ph.D.

 post-doctoral researcher
 Molecular Dynamics Group
 Groningen Institute for Biomolecular Research and Biotechnology
 University of Groningen
 The Netherlands

 --

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 R. Bryn Fenwick
 robert.fenw...@irbbarcelona.org
 Post-doctoral fellow
 Chemistry and Molecular Pharmacology Programme
 Institute for Research in Biomedicine (IRB Barcelona)
 Parc Científic de Barcelona
 Baldiri Reixac 10, 08028 Barcelona, SPAIN
 Tel. (+34) 9340 

Re: [PyMOL] Moveable Camera

2010-05-12 Thread Bard, Joel
Tom-

Take a look at slerpy: http://pymolwiki.org/index.php/Slerpy

It was written to do exactly what you describe...and of course it is the
camera that moves.  The coordinates of the molecule are not changed
unless you go into edit mode.

Best,

Joel 

-Original Message-
From: Dupree Tom [mailto:t.dup...@student.unsw.edu.au] 
Sent: Tuesday, May 11, 2010 8:27 PM
To: Bard, Joel; pymol-users@lists.sourceforge.net
Subject: [PyMOL] Moveable Camera

Hello everyone,

I am trying to do something that seems a little uncommon. I wish to have
a moveable camera. So instead of rotating/translating the
protein/molecule/DNA I move the camera point/location and the vector
that the camera points in. I wish to be able to move into the molecule
and view binding pockets from the perspective of the molecule. I have
tried a few web searches on this and thought I would ask everyone here
if they have heard of something similar?

I am currently trying to find some 3d modelling software that will load
a .PDB file so that I can export it to a game engine (Unreal development
kit) as a back up method if all else fails.

Thanks for your time,

Tom

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Re: [PyMOL] Moveable Camera

2010-05-12 Thread Tom Dupree
Thank you everyone for giving me your time,

I think I failed to explain what I am trying to do correctly/clearly...or I 
simply do not understand your answers, either is possible :)

What I really want is to be able to explore binding sites from inside the 
binding site.

Take a room with a couch and a lamp in it, pymol allows me to look at the room 
from the outside from a wide range of perspectives and angles looking in at the 
room, it also allows me with clipping planes to remove (from view) walls so 
that I can see the contents of the room. I want to be able to walk into the 
room and turn around in the room looking out (and to move around in that room).

As far as I understand it I can use the scene commands to switch from one 
preset view to another which is good, but my problem is I want free movement 
like you have when you turn/rotate your views.

A better description is a to load up the molecule and then use a no-clipping 
mode of a first person computer game to move through and around it.

My problem is that pymol (seems) to always have a fixed point that the camera 
is looking at (wrt turning). It is this property that I am trying to get away 
from/change. Is there a way to turn the look at vector x degrees horizontal and 
y degrees vertical?

Tom

-Original Message-
From: Bard, Joel [mailto:joel.b...@pfizer.com] 
Sent: Wednesday, 12 May 2010 11:38 PM
To: Tom Dupree; pymol-users@lists.sourceforge.net
Subject: RE: [PyMOL] Moveable Camera

Tom-

Take a look at slerpy: http://pymolwiki.org/index.php/Slerpy

It was written to do exactly what you describe...and of course it is the
camera that moves.  The coordinates of the molecule are not changed
unless you go into edit mode.

Best,

Joel 

-Original Message-
From: Dupree Tom [mailto:t.dup...@student.unsw.edu.au] 
Sent: Tuesday, May 11, 2010 8:27 PM
To: Bard, Joel; pymol-users@lists.sourceforge.net
Subject: [PyMOL] Moveable Camera

Hello everyone,

I am trying to do something that seems a little uncommon. I wish to have
a moveable camera. So instead of rotating/translating the
protein/molecule/DNA I move the camera point/location and the vector
that the camera points in. I wish to be able to move into the molecule
and view binding pockets from the perspective of the molecule. I have
tried a few web searches on this and thought I would ask everyone here
if they have heard of something similar?

I am currently trying to find some 3d modelling software that will load
a .PDB file so that I can export it to a game engine (Unreal development
kit) as a back up method if all else fails.

Thanks for your time,

Tom

--

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