From: Jesper L. K. <jl...@mb...> - 2012-07-12 13:22:50
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Hi PyMOL'ers I have, over some time now, made several morphs using rigimol from the incentive version of PyMOL. It is a continuous process with a membrane protein, where we have been lucky to solve more and more functional stages. Our favourite way of representing the morphs to a scientific audience, is though a "live" PyMOL full screen session. it gives full flexibility to look into specific areas if any questions from the audience should appear and is so much more powerful than a "dead" movie, where views and zooms are locked. So far so good and back on track. Our morph now contains 5 ground functional stages and morphs with 30 PyMOL states in between each ground stage. This results in 150 PyMOL states to load a.k.a. 150 PDBs. That many states has an huge impact on PyMOL's RAM consumption, it eats up 7 GB when running the morph without shaders (set use_shaders, 0). If shaders is turned on RAM consumption exceeds 10 GB. Not surprisingly this is a problem, when we want to present this morph on a labtop computer with 2/4GB RAM. Is there tricks to bring this excessive RAM consumption down to a level where it can handled by a generic labtop computer? The reason I use such strong words as "excessive RAM consumption" is due to the fact that the way Rigimol works, results in 150 PDB with identical element composition, where only coordinates change through the files. Perhaps if PyMOL could understand this and only the change positions of the same atoms during the morph. Would that be possible and would it help? Perhaps memory compression? Thanks! //Jesper -- Jesper L. Karlsen Centre for Structural Biology Department of Molecular Biology University of Aarhus Gustav Wieds Vej 10C 8000 Aarhus C Phone: +45 87155467 E-mail: jl...@mb... |
From: Jason V. <jas...@sc...> - 2012-07-12 15:59:28
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Hi Jesper, Any chance you can send me a copy of the multi-state PDB file? We'll look into the memory usage--10 GB for 150 frames is alot of memory. We recently had someone morph the ribosome using RigiMOL and we received no complaints about memory footprints in that case. Cheers, -- Jason On Thu, Jul 12, 2012 at 8:05 AM, Jesper Lykkegaard Karlsen <jl...@mb...> wrote: > Hi PyMOL'ers > > I have, over some time now, made several morphs using rigimol from the incentive version of PyMOL. > It is a continuous process with a membrane protein, where we have been lucky to solve more and more functional stages. > > Our favourite way of representing the morphs to a scientific audience, is though a "live" PyMOL full screen session. > it gives full flexibility to look into specific areas if any questions from the audience should appear and is so much more powerful than a "dead" movie, where views and zooms are locked. > > So far so good and back on track. > Our morph now contains 5 ground functional stages and morphs with 30 > PyMOL states in between each ground stage. This results in 150 PyMOL states to load a.k.a. 150 PDBs. > That many states has an huge impact on PyMOL's RAM consumption, it eats up 7 GB when running the morph without shaders (set use_shaders, 0). If shaders is turned on RAM consumption exceeds 10 GB. > > Not surprisingly this is a problem, when we want to present this morph on a labtop computer with 2/4GB RAM. > > Is there tricks to bring this excessive RAM consumption down to a level where it can handled by a generic labtop computer? > > The reason I use such strong words as "excessive RAM consumption" is due to the fact that the way Rigimol works, results in 150 PDB with identical element composition, where only coordinates change through the files. Perhaps if PyMOL could understand this and only the change positions of the same atoms during the morph. Would that be possible and would it help? > Perhaps memory compression? > > Thanks! > > //Jesper > > -- > Jesper L. Karlsen > Centre for Structural Biology > Department of Molecular Biology > University of Aarhus > Gustav Wieds Vej 10C > 8000 Aarhus C > > Phone: +45 87155467 > E-mail: jl...@mb... > > ------------------------------------------------------------------------------ > Live Security Virtual Conference > Exclusive live event will cover all the ways today's security and > threat landscape has changed and how IT managers can respond. Discussions > will include endpoint security, mobile security and the latest in malware > threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... -- Jason Vertrees, PhD PyMOL Product Manager Schrödinger, LLC (e) Jas...@sc... (o) +1 (603) 374-7120 |