[PyMOL] Export trajectory

2009-10-22 Thread andrea carotti
Hi all, is there the possibility to export a trajectory loaded in pymol? I've compiled it from source with the VMD support. With save molecule I can see only pdb...so probably it can create a multiple pdb file..but nothing else (e.g dcd...)? Thanks Andrea -- Andrea Carot

Re: [PyMOL] Export trajectory

2009-10-22 Thread Warren DeLano
Andrea, Yes: save file-name.pdb, object-name, 0 For example: save multi.pdb, mytraj, 0 Cheers, Warren -Original Message- From: andrea carotti [mailto:and...@chimfarm.unipg.it] Sent: Thu 10/22/2009 5:02 AM To: pymol Subject: [PyMOL] Export trajectory Hi all, is there the possibilit

[PyMOL] real time first person camera view / control

2009-10-22 Thread Nick Hunter
hello - i would like to create a first person view so that it is as if you are walking around the scene. would this be possible through pymol's python interface while maintaining adequate performance for real time interaction? if not, would it be possible/difficult to alter the source code in suc

[PyMOL] not getting a simple translation

2009-10-22 Thread David Garboczi
I have a 5 similar domains (struct.pdb) aligned on another one (rcsb.pdb). I made a copy of one of them and translated it 37 angstroms to the right. translate [37, 0, 0 ]. But I did not get a simple translation. The two molecules end up having a rotation between them. Here's the script. I need

Re: [PyMOL] not getting a simple translation

2009-10-22 Thread Warren DeLano
Hi David, You have a rotate command in that script. Did you mean to 'turn' the camera rather than 'rotate' the atomic coordinates? Cheers, Warren > -Original Message- > From: David Garboczi [mailto:dgarbo...@niaid.nih.gov] > Sent: Thursday, October 22, 2009 7:00 AM > To: pymol-users@li

Re: [PyMOL] real time first person camera view / control

2009-10-22 Thread Warren DeLano
Nick, How would this be different from the existing Scene interpolation capability? You can use the Scene menu to Append a series of scenes of the molecule (views+representations) and then use Scene -> Next, PAGE-DN or the scene command to interpolate through them. Cheers, Warren ___

Re: [PyMOL] not getting a simple translation

2009-10-22 Thread David Garboczi
Ah, "turn", yes that is better. thanks, Dave At 10:08 AM -0400 10/22/09, Warren DeLano wrote: >Hi David, > >You have a rotate command in that script. Did you mean to 'turn' the >camera rather than 'rotate' the atomic coordinates? > >Cheers, >Warren > >> -Original Message- >> From: Dav

[PyMOL] Selecting a molecule by command line

2009-10-22 Thread andrea carotti
Hi again, and thanks for the support. I have another question. I would like to select molecules inside my pdb. I've seen that using the mouse selection (activating molecules in the right panel) and clicking on a molecule, the program correctly identify it. It's possible to use a command to do it? S

[PyMOL] How to switch objects in a Pymol animation

2009-10-22 Thread aaleshin
Dear Pymol experts; I am trying to make a complex movie using new movie-making features of MacPymol 1.2. The video tutorials that are available to "power users" were quite helpful explaining how to use the timeline. However, the clips do not explain how to switch objects during the animation.

Re: [PyMOL] Selecting a molecule by command line

2009-10-22 Thread Folmer Fredslund
Dear Andrea, Yes it is. http://pymolwiki.org/index.php/Select mvh Folmer 2009/10/22 andrea carotti : > Hi again, > and thanks for the support. > I have another question. I would like to select molecules inside my pdb. > I've seen that using the mouse selection (activating molecules in the > rig

Re: [PyMOL] Saving high resolution images

2009-10-22 Thread Tsjerk Wassenaar
Hi Thomas, The viewport is not important for rendering. You can render at whatever resolution/dimensions you want with whatever viewport. You can even make a panorama using a wide angle lens if you want to have something for on your wall ;) Cheers, Tsjerk On Wed, Oct 21, 2009 at 11:43 PM, Thoma

Re: [PyMOL] Saving high resolution images

2009-10-22 Thread Thomas Stout
But isn't it true that only the objects that are visible in the viewport are what are written to the rendered image file? I was proposing rendering a poster-sized image in "tiles" and stitching them back together post facto to create a very large, high resolution image. something like: --

Re: [PyMOL] Saving high resolution images

2009-10-22 Thread Warren DeLano
Hi Tom, Actually this is how the "draw" command works in using the screen-based OpenGL renderer to create images of arbitrary size. However, the ray-tracer isn't currently set up to operate that way. Ray might work with an orthoscopic projection, but with perspective enabled, each frame woul

Re: [PyMOL] Saving high resolution image

2009-10-22 Thread Martin Stoermer
Of course your protein and computer will be different to mine, but just as a test I used a fully surfaced 380 residue protein with a docked ligand and did the raytrace you suggest: using Pymol 1.2: Macbook Pro 2.16GHz, 2GB RAM took 10 minutes to render, 20 seconds to write the 9000x6000 PNG