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Touching Molecules With Your Bare Hands

FiReaNGeL writes "Researchers at the Scripps Institute just devised an incredibly interactive way to manipulate complex molecules, such as proteins and DNA, with your bare hands. Combining 3D printed hand-held objects with sophisticated computer displays & cameras, this technology allow more natural and intuitive interactions with biological molecules - you can manipulate them with your hands and visualize the results on the computer in real time. Don't miss the incredibly cool movies and images illustrating the 3D printing process and augmented reality interaction with diverse proteins, viral self-assembly simulation and HIV-1 protease folding. A detailed press release is available."

125 comments

  1. A classic in the making. by Anonymous Coward · · Score: 3, Funny
    It's gonna be a hit!
    Chorus

    I want you
    I don't want anybody else
    And when I think about you
    I touch molecules
    Ooh, oooh, oooooh, aaaaaah


    1. Re:A classic in the making. by B'Trey · · Score: 3, Interesting

      Speaking of classics, did anyone else think of Heinlein's waldos when they read this?

      --

      "The legitimate powers of government extend only to such acts as are injurious to others." Thomas Jefferson.

    2. Re:A classic in the making. by Anonymous Coward · · Score: 0

      "manipulate . . . proteins and DNA, with your bare hands."

      I've been doing this since I was twelve. Albeit, I only use one hand (the right). What took them so long to figure it out?

  2. Eh? This is something new? by rice_burners_suck · · Score: 4, Funny
    Touching Molecules With Your Bare Hands

    Newsflash!! Anytime you touch anything, you're touching molecules with your bare hands! In fact, your hands are made of molecules, too!

    1. Re:Eh? This is something new? by BWJones · · Score: 1, Offtopic

      Newsflash!! Anytime you touch anything, you're touching molecules with your bare hands! In fact, your hands are made of molecules, too!

      Informative?!!!? I think not. Mod down and here is why: What the article has to do with is how to interact with molecules to see how they interact at the very hard to appreciate scales that one works with. Van der walls, intramolecular and intermolecular forces are critically important for many molecular reactions such as covalent bonding and enzymatic activity. Understanding how this happens is all part of the education in chemistry and for many students can be difficult. A post like this is just silly, or worse yet, ignorant if the poster is serious.

      --
      Visit Jonesblog and say hello.
    2. Re:Eh? This is something new? by Anonymous Coward · · Score: 0

      Thank you for being intelligent. Really, people don't realize the simple things. Learning concepts from a book somehow dissociates you from reality.

    3. Re:Eh? This is something new? by Quo_R · · Score: 1

      Unless you're touching something made of pure elements that is..

    4. Re:Eh? This is something new? by shreevatsa · · Score: 1

      No, even if you are. All matter is made of molecules, even that made of "pure elements". A molecule does not have to have atoms of more than one kind to be called a molecule. Molecules of hydrogen, for instance, are made of two hydrogen atoms. A molecule doesn't even have to have more than one atom -- it's a mono-atomic molecule, if it has only one atom.

    5. Re:Eh? This is something new? by shreevatsa · · Score: 1

      (Apart from what the poster above me says about touching being a macro-level thing, ) in my opinion, your parent is right: Anytime you touch anything, you're touching molecules with your bare hands! The article should have been titled "Interacting with molecules with your bare hands", as "touching" molecules just makes no sense.

    6. Re:Eh? This is something new? by Anonymous Coward · · Score: 0

      You never touch anything; what you feel is electromagetic repulsion. ;)

    7. Re:Eh? This is something new? by NanoGator · · Score: 0, Troll

      "Newsflash!! Anytime you touch anything, you're touching molecules with your bare hands!"

      Err I thought I heard somewhere that molecules don't ever actually touch each other. There's a lot of space between them.

      Oh.. wait.. that might have been Honey I Shrunk the Kids.

      --
      "Derp de derp."
    8. Re:Eh? This is something new? by Javanista · · Score: 1

      Makes me think of the eternal question raised by They Might Be Giants:

      Particle man, particle man
      Doing the things a particle can
      What's he like? It's not important
      Particle man

      Is he a dot, or is he a speck?
      When he's underwater does he get wet?
      Or does the water get him instead?
      Nobody knows, Particle man

    9. Re:Eh? This is something new? by Quo_R · · Score: 1
      Answers.com gives

      molecule (ml'-kyl') n. The smallest particle of a substance that retains the chemical and physical properties of the substance and is composed of two or more atoms; a group of like or different atoms held together by chemical forces. A small particle; a tiny bit.

  3. Saw this already by Mr.+Arbusto · · Score: 4, Funny

    In the first Jurrassic Park between the advertisments for Thinking Machines(TM) Supercomputers and Silicon Graphics(TM).

  4. I for one.. by Anonymous Coward · · Score: 0

    I, for one, welcome out new self-assembled virus overlords.

  5. In other news... by Anonymous Coward · · Score: 0, Funny

    Water is wet!

  6. In the post Michael Jackson world... by Anonymous Coward · · Score: 2, Funny

    ...Molecules touch you!

  7. Opposite by LiquidCoooled · · Score: 3, Insightful

    I assume you could expand on the principal and have an entire galaxy at your fingertips.

    Sure would be cool to have hanging around.

    --
    liqbase :: faster than paper
    1. Re:Opposite by jessecurry · · Score: 2, Insightful

      this is a very cool technology that seems to have applications for anything that is either too large or too small to directly interact with. One of the limitations that many people have when learning is that they cannot visualize the concepts, this sort of evens the playing field for those people that have trouble.

      --
      Those who know, do not speak. Those who speak, do not know. ~Lao Tzu
    2. Re:Opposite by Kristjan+Kannike · · Score: 1

      Only that you would have to wait 100000 years for feedback from the edge of the Galaxy, as nothing can go faster than light!

      --
      If God manifested Himself to us here He would do so in the form of a spraycan advertised on TV. -- Philip K. Dick
  8. New Toy Line by djinn2020 · · Score: 1

    Sugar molecule - $5.99 $4.99 when you buy with paypal!

    --
    Mens et Manus
  9. Unbelievable by Anonymous Coward · · Score: 0

    *waves hands in air in disbelief*!

    Let me guess, next you're going to tell me, by waving my hands I'm touching air molecules? Ha! Nice try.

  10. HIV by ximenes · · Score: 1, Funny

    I tried this out, specifically touching the HIV molecules. Now I'm infected. This technology really works!

    1. Re:HIV by wideBlueSkies · · Score: 2, Insightful

      The other night I kissed the cheek molecules of one of my dear friends, and I saw the molecules of her lips form into a smile. :)

      Technology is great.... firendship is better.

      wbs.

      --
      Huh?
    2. Re:HIV by Anonymous Coward · · Score: 0

      You are wierd.

    3. Re:HIV by ximenes · · Score: 1

      Thanks for reminding me that the furthest I can go now is kissing. The Scripps Institute has ruined my sex life.

    4. Re:HIV by Anonymous Coward · · Score: 0

      A slashdotter? yeah, right...

    5. Re:HIV by brain007 · · Score: 1

      If the Scripps Institute ruined your sex life, I think you have far bigger problems.

    6. Re:HIV by Anonymous Coward · · Score: 0

      The other night I kissed the cheek molecules of one of my dear friends, and I saw the molecules of her lips form into a smile. :)
      As this is about kissing on Slashdot, let me guess -- you're a woman, right?

    7. Re:HIV by wideBlueSkies · · Score: 1

      A slashdotter, a trekkie, and a Rush fan, and yah, I have a friend who is a girl.

      What's next? snowmen will thrive in hell, Windows will become secure, and Bush will become a great president.... In that order.

      wbs.

      --
      Huh?
  11. Cool! by kyle90 · · Score: 5, Interesting

    Tactile interaction with molecules is the first step towards understanding them well enough to create working nanotech. Right now all we have are descriptions and equations, and it's a lot harder to work from a statement like "the force between these two atoms is such-and-such Newtons" than it is to actually feel the force (appropriately scaled up, of course)

    --
    Real_men_don't_need_spacebars.
    1. Re:Cool! by RicktheBrick · · Score: 1

      United Devices has received over a half a million years of cpu time devoted to studying the interaction of ligands with protein stuctures associated with cancer(autodock). I do not think they can claim saving even one person's life. The program has been running now for close to 4 and a half years without too much positive results. At least none that they are willing to publicize. I keep hoping that programs like this will help but my hopes are fading.

    2. Re:Cool! by Anonymous Coward · · Score: 0

      I especially like this tool for intuitively guiding computation of electrodynamic forces for development of new structures.

      Hmm. Same idea for visualizing thermal flux densities in power generation and transmission system design?

  12. QUICK by Xeo+024 · · Score: 4, Funny

    everyone get out your gloves! You wouldn't want molecules on your hands, would you?

    1. Re:QUICK by OmgTEHMATRICKS · · Score: 0

      This is the funniest thing I've read since Hilary Clinton's "Living History." And that was insanely funny. No, seriously. I'm not being sarcastic.

  13. Haptic interfaces by G4from128k · · Score: 4, Informative

    In preslashdot days, there was a segment of the VR community working on force-feedback (haptic) interfaces. In one application, a 6-DOF, 3-D mouse let a researcher "hold" a simulated molecule and "feel" how that molecule fit into a receptor site of an enzyme. Computing the forces required high-end equipment at the time, but should be very doable today if one had the specialized interface hardware.

    --
    Two wrongs don't make a right, but three lefts do.
    1. Re:Haptic interfaces by mikael · · Score: 1

      The current haptic devices include the Phantom OMNI. This is the only system, I've had the chance to use with 3D software. It gave good feedback on the virtual models, but it would probably be much better if you could combine it with atomic force microscopy.

      --
      Vintage computer adverts: http://www.vintageadbrowser.com/computers-and-software-ads
    2. Re:Haptic interfaces by SamSim · · Score: 1

      I seem to recall Neal Stephenson used the idea in The Diamond Age. There's a sequence where a guy is using a sort of glove with force feedback to manipulate individual molecules and atoms - as in literally manipulate real molecules, not just manipulate in a simulation, because the whole culture the book is set in revolves around nanotech. Whether The Diamond Age predates your VR wossname, I don't know, but it doesn't stop it being immensely cool.

  14. Comment removed by account_deleted · · Score: 1

    Comment removed based on user account deletion

  15. TFA is a lie by mrRay720 · · Score: 4, Insightful

    That's no more "touching molecules" than owning a copy of playboy is having a girlfriend. It's touching a solid immitation of one.

    (Ignoring the obvious complaint that most stuff is made of molecules.)

    1. Re:TFA is a lie by Anonymous Coward · · Score: 0
      That's no more "touching molecules" than owning a copy of playboy is having a girlfriend. It's touching a solid immitation of one.
      Is that touching a solid imitation of a molecule or an inflateable girlfriend?
  16. Splelign errros by Anonymous Coward · · Score: 0

    FTA: "Video might requires..."

    Man, these guy [sic] can find funding for a 3D Printer...I can't even afford a dot-matrix... :(

  17. Augmented reality... by FireballX301 · · Score: 3, Insightful

    I skimmed the article, and apparently, what happens is that they have a machine that will manufacture molecules out of plaster and such. That model can then be manipulated, and the manipulations will occur on the computer. A camcorder feed records your hands and the molecule, and will display it, along with the computer's own overlay. Thus, the pictures are all CG, and the weird effect is simply an overlay of a normal molecule model.

    IMO, not as impressive as a video I saw, where there was a desk that had virtual (i.e. you could put your hand through them) objects moving around and interacting with some real objects (a plug outlet). Also had a guy turning his mic into a rose. I forget the link.

    1. Re:Augmented reality... by NSObject · · Score: 4, Informative
      IMO, not as impressive as a video I saw, where there was a desk that had virtual (i.e. you could put your hand through them) objects moving around and interacting with some real objects (a plug outlet). Also had a guy turning his mic into a rose. I forget the link.

      The company is Total Immersion. The video you're talking about can be seen here.

    2. Re:Augmented reality... by danila · · Score: 1

      Thanks for the links.

      --
      Future Wiki -- If you don't think about the future, you cannot have one.
    3. Re:Augmented reality... by pimpimpim · · Score: 1

      There is a similar technique developed in the Netherlands, but it still depends on 3d-glasses: http://homepages.cwi.nl/~robertl/pss/pss.html This looks much more crude than the video, but although the thing shown in the video here is nice for demostrations etc, for work like practicing operations the most important thing is that the one who's doing the movements actually sees a virtual reality that is coupled to his/her movements, not just the public on a separate screen. I thought there was one similar design were people could actually work on a table top and see their virtual reality while they were looking at the table in real time, but I can't find it anymore. google tips: "3d interaction", "augmented reality"

      --
      molmod.com - computing tips from a molecular modeling
  18. diamond age by Anonymous Coward · · Score: 0

    Bespoke, here we come.
    /obvious
    //too much fark, picking up the slashes

    1. Re:diamond age by wakejagr · · Score: 1

      Dang it! Where's the +1 reference to neal stephenson option?

      --
      Don't save Windows XP! http://www.petitiononline.com/jjw1xp/petition.html
  19. Re:In other, OTHER news... by Anonymous Coward · · Score: 0

    No, it's not!

    http://abclocal.go.com/wpvi/news/04132004_bb_sap ph ire.html

  20. Comment removed by account_deleted · · Score: 4, Insightful

    Comment removed based on user account deletion

  21. Blue Gene by karvind · · Score: 3, Insightful

    I am not sure if I understand this completely (I read the Press Release).Blue gene does protein folding computations which requires hours of CPU time. How can you understand these molecular interactions in real-time ? Article doesn't give detail about how they implemented the time-consuming computation.

    1. Re:Blue Gene by t35t0r · · Score: 2, Insightful

      The fold of the proteins in question are already known. That's how they know how to construct them physically using the magnets or 3d printers. It's how the protein will interact with other molecules that makes this approach useful.

    2. Re:Blue Gene by tfoss · · Score: 2, Insightful
      First, Blue Gene's aren't yet up to the task of true de novo protein folding simulation (and there is debate about when/if we'll be able to actually do that with the knowledge we have now). Molecular interaction calculations on the other hand, aren't nearly so challenging, and many can be done in real-time (there are obviously many caveats to that, but...).

      Second and more importantly, that isn't what this does. This setup is mainly to help in teaching about molecular interactions by providing an enhanced tactile environment. Lots of people learn better when they can actually touch models. This is a system that takes these models and adds a layer of virtual reality on top of them. So not only can you play with a model of your favorite protein..feel it, turn it around in your hands, etc etc, but now you can have a computer superimpose various types of information on that model. Show the structure of any residue's sidechain, show the electrostatic potential around any part of the protein, show how a small molecule docks inside a protein, etc etc. All types of information that has been represented by static pictures, then pre-rendered movies, then interactive movies, are now able to be demonstrated in an even more intuitive system.

      -Ted
      And let me just say how cool it was to click on a Slashdot story that has one of my phd committee members (Art Olson) in it!

      --
      -=-=- Quantum physics - the dreams stuff are made of.
    3. Re:Blue Gene by TapeCutter · · Score: 1

      Pass on my admiration to Art, this system is fantastic. I cannot understand why the slashdot crowd seem so dismisive. The more protiens that IBM fold the more this system will be usefull as a research and teaching tool. You could eventually have a model of a whole virus in one hand and see how various drug candidates could attach to it with the other. Perhaps they could borrow an idea from the game industry and implant a vibrating device inside the models to represent the forces. Actually that sounds more like the sex industry, but you know what I mean.

      --
      And did you exchange a walk on part in the war for a lead role in a cage? - Pink Floyd.
    4. Re:Blue Gene by stonecypher · · Score: 1

      Er. No. Batch protien folding is expensive, because you're folding 10^preposterous possible protiens. Folding one protien is relatively trivial; you could do it realtime on a z80. Amusingly, that means that the Classic Gameboy has enough horsepower to pull it off.

      Molecular interactions are simple. The problem with batch protien folding is the sheer number of foldings which need to be addressed.

      --
      StoneCypher is Full of BS
  22. Manipulate DNA? by Anonymous Coward · · Score: 1, Funny

    I dont need no special gloves to manipulate DNA. I manipulate DNA with my bare hands several times a day!

    1. Re:Manipulate DNA? by rob_squared · · Score: 1

      "Manipulate," and, "throw away with a keenex," are two very different things.

      --
      I don't get it.
  23. Let's get physical ... by rikrebel · · Score: 1

    ... Physical.

    Lemme hear your molecules talk. Yeah, lemme hear your molecules talk...

  24. steel?!?!?! by jesusincorporated · · Score: 0

    Damn, rapid prototyping is the shiznite, We use the starch based stuff here in the vehicle dynamics lab at the U of A, but the video says they can rapid prototype stuff out of steel?!? Crazy

    1. Re:steel?!?!?! by TribeDoktor · · Score: 1

      You need to come over to the Trismen Center over near the music school. Our 3D printer kicks out plastic. We have better toys on this side of Speedway. ;-P

  25. why has noone mentioned the Diamond Age yet? by selfdiscipline · · Score: 1

    good book, but not as good as Snow Crash

    --


    -------
    Incite and flee.
  26. The problem is by Anonymous Coward · · Score: 0

    The tighter you clench your fist, the more star systems will slip through your fingers.

  27. OMFG by Anonymous Coward · · Score: 0

    It's the Nintendo Revolution!!!

    I cannot wait to see them to announce at E3 the soon to be bestselling game "Super Proteinase Brothers"

    IT WILL CHANGE VIDEO GAMES AS WE KNOW IT

  28. Science Fiction by Qwerpafw · · Score: 5, Insightful

    Once again, we see a real advancement predicted by a science fiction author.

    In his work The Diamond Age (which was published, I believe, in 1995), Neal Stephenson predicted that nanotech engineers would manipulate molecules by hand, maneuvering them into position to create microscopic engines, rod-based logic elements, and other devices. John Percival Hackworth, one of the semi-protagonists of the novel (Stephenson has a nasty tendency to complicate his writing with multiple protagonists who follow divergent paths), is such an engineer, an individual who creates 'bespoke' nanotech designs.

    The central conceit of the novel is that Nanotechnology has entirely replaced conventional manufacturing through the use of a "feed"--a dedicated line of raw materials which couples with computers to create almost any object desired. How long until such things become reality? Only time will tell. Obviously though, we're on our way.

    1. Re:Science Fiction by Bandman · · Score: 1

      I'm pretty sure Neil got beat by some prior art on that subject...no disrespect to him, of course, but I don't think he originated the idea.

    2. Re:Science Fiction by Dirtside · · Score: 1
      Once again, we see a real advancement predicted by a science fiction author.
      Don't forget that they've also predicted thousands of inventions that have not yet been invented, or are actually impossible by the laws of physics. (There's also inventions that are possible, but aren't practical or particularly useful in light of other inventions.)
      --
      "Destroy science and religion. Science would re-emerge exactly the same; but not religion." - Penn Jillette, paraphrased
  29. Has anyone seen molecules? by Anonymous Coward · · Score: 0

    Excuse my ignorance, but has anyone actually ever seen an atom or a molecule? Is there a microscope picture or anything? Or is this whole theory just a theory?

    1. Re:Has anyone seen molecules? by Shipud · · Score: 1

      "seeing" something requires the object visualized to be larger than 480nm (480*10^-9 meters) the wavlength of the shortest visible lightwave. Atoms are some 10,000 times smaller than that. So you need a shorter wavlength radiation, and some form of detection mechanism which is not the human retina. X-rays have a wavelength approaching 10^-10 of a meter. SO that should work to see small molecules and atoms. But we do not have lens to focus X-rays. What scientists do, is use a diffraction pattern to reconstruct the shape of a molecule bombarded with X-rays. What they reconstruct is an "atom density map": those bits of the molecule which diffract X-rays, and thus have something denser than vaccum in them: at atom. This can be a long and arduous process, especially when dealing with larger molecules like proteins or DNA, but it is done quite routinely nowadays, with the shapes of some 30,000 protein molecules already determined in this fashion, and many many smaller molecules. The process is called X-ray crystallography, and I bet wikipedia has something good about it. HTH :)

      --
      /sdrawkcab si gis siht
    2. Re:Has anyone seen molecules? by Anonymous Coward · · Score: 0

      some parts of the crystallographic model building process have the potential to be easier when this gets integrated with the way its done now - which isn't in principle any different from the way it was done in the 70's. then again, the stuff e.g. from the mit media lab - or what a poster referred to - would be sweet b/c you'd do away with using a tactile model and instead have clammy gloves to use or something...

      but crystallography aside, i'm wondering how they are going to incorporate water molecules - lots of teeny magnets of different strengths?

    3. Re:Has anyone seen molecules? by coopex · · Score: 1

      Adding on this, it's not even known whether atoms are collections of point mass particles (protons, neutrons and electrons), so as the parent poster said, "seeing" in the conventional sense doesn't really mean anything. Another way to observe atoms is using scanning tunneling microscopes, as in these pictures http://www.almaden.ibm.com/vis/stm/stm.html http://www.almaden.ibm.com/vis/stm/gallery.html Large molecules like proteins and DNA are better seen with X-ray diffractions.

      --
      The road to hell is paved with good intentions.
  30. Yeah, right :-( by Jugalator · · Score: 1

    Don't miss the incredibly cool movies and images

    And that's exactly how you shall write in a Slashdot article to be sure people will miss them. :-/

    --
    Beware: In C++, your friends can see your privates!
  31. Rubic Cube by Skiron · · Score: 1

    I am sure the Rubic cube came about due to Mr. Rubic making/inventing a 'moving model' to show his students how atoms moved around in a bound molecule.

    1. Re:Rubic Cube by Doc+Ruby · · Score: 1

      Rubik was a sculptor and architect, not a chemist or physicist. He invented an interesting puzzle. Its motion works identically to dynamics of "group functions", which some physicists realized works like a model of quark/antiquark combinations that compose several subatomic hadrons.

      --

      --
      make install -not war

    2. Re:Rubic Cube by Anonymous Coward · · Score: 0

      Actually, Rubik designed the cube as an excercise in three dimansionality.

    3. Re:Rubic Cube by TapeCutter · · Score: 3, Informative

      I was about 25 when Rubik's cube came out and was facinated as to why the corners didn't fall off. A couple of days after buying a cube I was a my parents house and dear old dad was fiddling with a cube. He had been a mechanical engineer most of his life so I asked him "why don't the corners fall off" - "Oh it's just got keys that fit into channels on a ball". I still had to pull the cube to bits before I could "visualise" how it worked.

      To be able to do the same sort of thing with molecules to explore self-assembly seems (to me anyway) a fantastic development. I wonder if furniture places like "Ikea" have heard of this. They could pour the tiny pieces in a box and let the vibration of home delivery assemble the furnitue.

      --
      And did you exchange a walk on part in the war for a lead role in a cage? - Pink Floyd.
  32. Stephenson wins again by Sairret · · Score: 2, Informative

    I always knew Diamond Age had it right.

  33. Good Song in the works by [cx] · · Score: 1

    Chorus:

    I believe in molecules
    Where you from
    You sexy thing
    I believe in molecules
    Since you came along
    You sexy thing

    Oh yaa.. dj spin that record

    1. Re:Good Song in the works by Anonymous Coward · · Score: 0

      Is that supposed to be sung to the tune "I believe in magic" ? Because it doesn't quite fit right.

  34. Re:Indeed by tukkayoot · · Score: 5, Funny

    Seeing these posts makes me wonder what kind of molecules are neccessary to construct a sense of humor.

  35. This is so obvious... by __aaclcg7560 · · Score: 0, Redundant

    ... but don't you touch molecules everytime you wave your hand in the air or in the water? The next thing these eggheads will be saying is that the Earth is round instead of flat. :P

  36. Nice learning tool by InternationalCow · · Score: 3, Insightful

    But nothing more. I agree with other posters. Now, if you could get some kind of force feedback that would tell you if one molecule can dock to the other in a particular orientation, or whether a, say, DNA molecule will accept a transcription factor and bend in the right direction, or.... - that would make a really useful tool for research. As it is now, this is a nice way of helping students to visualize the spatial properties of complex molecules. Useful, but hardly revolutionary in any sense.

    --
    ----- One learns to itch where one can scratch.
    1. Re:Nice learning tool by dumllama · · Score: 1

      I'm most interested in the fabricating machine.

      For the molecules, as you said, it would be more valuable to have a force-feedback system that could give us an intuitive idea of the forces involved in molecular structure. I've seen robotic-arm type structures that allow a person to "interact" with something on the computer screen in a way that makes it feel like something is actually "there".

      --
      "eternal vigilance is the price of liberty" Wendell
    2. Re:Nice learning tool by t35t0r · · Score: 1

      Yes, unfortunately if you've ever run molecular dynamics simulations you know that water is a crucial ingredient in determining the ultimate behavior of multiple protein / nucleic acid / docking simulations.

      So unless we can model protein - water - protein - NA interactions physically in realtime (There are programs which do this somewhat already VMD visual component + NAMD molecular dynamics + IMD (interactive molecular dynamics), then what you are referring to will be possible. But we are well on our way.

    3. Re:Nice learning tool by phritz · · Score: 1

      Heh. You work for Klaus, don't you. .

      More on topic, IMD actually does have support for force-feedback joysticks. You can, for instance, use the joystick to stretch a muscle protein out, and feel its resistance to the stretch.

  37. Meanwhile, back in the article by mcc · · Score: 2, Insightful

    This is a visualization technology, and not actually connected to the idea of moving around literal molecules. That is to say, the technology on display here allows you to move around molecules in a computer model, but those molecules are computer constructs and don't actually exist.

    If someday we find a way to manipulate single molecules with such precision that we can mechanically and specifically control their movement freely, then we could of course use a technology such as this one to specify those movements. However such manipulation of molecules is the "hard part" of nanotechnology and not likely to happen any time soon. When nanotechnology becomes feasible it seems most likely that for a very long time we will be stuck with using assembly methods which are much more indirect.

    The technology is however it seems immensely useful to people, such as biologists, who wish to understand and visualize how molecules, once constructed by whatever means, will interact with each other in a theoretical model.

    1. Re:Meanwhile, back in the article by Qwerpafw · · Score: 1
      This is a visualization technology, and not actually connected to the idea of moving around literal molecules. That is to say, the technology on display here allows you to move around molecules in a computer model, but those molecules are computer constructs and don't actually exist.
      Right, but it's on the way towards creating actual molecule manipulation. If they work on the physics of the molecule interactions (the current system doesn't really allow for this, but perhaps more dynamic future developments would incorporate this feature), then you could actually feel how the molecules move around in space and interact with each other via various forces (e.g. van-der-waals interactions in real time as you 'push' molecules around). This, coupled with some understanding of how to "put things together" in the real world, would go a ways towards actually allowing molecular design. If you're able to create something that 'snaps' together on its own, it's that much easier to implement in a laboratory.
    2. Re:Meanwhile, back in the article by QuantumG · · Score: 1

      No, the cool bit is that you could conceivably build a self assembling system out of these macroscale parts which works the same way as an equivalent microscale system. Much easier to design something when you can work with it. In fact, I bet if you were to give 1000 of these parts to a bunch of 5th graders and teach them the concept of self assembly they could come up with a working system in a day.

      --
      How we know is more important than what we know.
    3. Re:Meanwhile, back in the article by FleaPlus · · Score: 1

      Yup. However, there is research into things sort of like what Stephenson described. One example:

      TeleNano Project: Augmented Reality User Interface for Atomic Force Microscopes (afm)

      With this 3D computer simulation coupled with realtime force feedback, an AFM can become a nanomanipulation tool where a user can interact with nano-size particles as easily as if they were lagre objects on the desk in front of them. This expands the utility of the AFM from simply a scanning device to a manufactuing tool with which we can assemble structures which are virtually impossible to build presently. Furthermore this system will allow novice users with little training to utilize the advanced capabilities of the system.

  38. Cheaper method by MHobbit · · Score: 1

    Why waste all that money when you can touch some molecules of your own! Your hand!

    --
    Debugging? Klingons do not debug. Bugs are good for building character in the user.
  39. Re:Indeed by DaoudaW · · Score: 2, Insightful

    Seeing these posts makes me wonder what kind of molecules are neccessary to construct a sense of humor.

    Amen!
    Mostly the OP was simply making fun of the headline. My first thought when I saw it before I RTFA was "I'm doing that right now!" Then I took my hand off the mouse and thought for a moment that I wasn't Touching Molecules With My Bare Hands(tm), but then I remembered the O2, CO2, et al that I was still touching. I just started laughing at the really bad choice of headline made by Zonk, but was really curious what the article was about.

    After I RTFA, I tried to think of a better headline. At first I thought it should be, "Manipulating Molecular Models with your bare hands," but that just reminded me of all the painted styrofoam balls I'd stuck onto straws. I got pretty close by adding "computer-generated", but even that seems inadequate. The process described is really quite cool. I guess the bottom-line is "Ignore this headline, RTFA"

  40. Not so by exp(pi*sqrt(163)) · · Score: 5, Insightful
    Computing the forces required high-end equipment at the time, but should be very doable today
    I wasn't doable on high end equipment then, it still isn't doable today. I spent 2 years working in computational chemistry and I've never seen such voodoo in my life. Yes - there are formulae for computing forces. But no, they don't bear much relation to reality Any simulation running anywhere near realtime is likely to be a purely classical simulation - balls and springs. This bears no relation to reality. Someone will run a simulation a few hundred times and after much tweaking of spring stiffnesses and so on they'll get results that vaguely approximate something measured in a lab. In the next simulation they'll need different parameters with no way of predicting what that change should be. Basically people in computational chemistry are doing post hoc fitting of models with close to zero predictive power. I've seen it happen over and over again and from time to time other people will also confess this is what they are doing. Occasionally someone will even run a quantum simulation - often a single electron model that is about as representative of a full quantum model as an elephant's dung is about its trunk.

    Unfortunately, with the advent of fancy graphics workstations came the belief that these methods worked - after all, people could see pictures, on a computer at that. These new methods make things even worse, people will feel forces generated by a fictional simulation and be even more convinced that what they are experiencing really does reflect reality. If you care to check you'll find very few cases of a drug discovery, say, resulting from a theoretical prediction about receptor binding. And when you do, you'll find plenty of people questioning that interpretation. After all, drug discovery is largely about dumb luck, and every so often the next randomly suggested compound for testing comes from a computational chemistry lab, even if a bunch of fortune tellers using the I Ching to predict drug designs might score just as well.

    Sometimes I worry if atmospheric sims used to predict global warming are just as bad - not not having worked in atmospheric science I've no evidence to back it up. The tricky thing is that anyone who works with sims is likely to have a vested interest in maintaining their use.

    --
    Doesn't it make you feel good to know that our freedoms are protected by politicans, lawyers and journalists.
    1. Re:Not so by G4from128k · · Score: 2, Interesting

      I wasn't doable on high end equipment then, it still isn't doable today.

      Thanks for the insight. I'd always suspected that they were using gross approximations for the field force calculations. Its one thing to compute the forces on a point charge in a uniform field. Its another thing to compute all the quantum mechanical effects of interacting electron shells in a real molecule.

      Unfortunately, with the advent of fancy graphics workstations came the belief that these methods worked - after all, people could see pictures, on a computer at that. These new methods make things even worse, people will feel forces generated by a fictional simulation and be even more convinced that what they are experiencing really does reflect reality.

      You are preaching to the choir on that one. I have first hand experience with deluding oneself through the power of simulations. It is too easy for an incorrect assumption or approximation to corrupt the results. And when the complexity of models or the beauty of the output are taken as indicators of truth, we are all in trouble.

      Sometimes I worry if atmospheric sims used to predict global warming are just as bad - not not having worked in atmospheric science I've no evidence to back it up

      I've not looked into this in a while, but I know that early simulations failed to predict the current weather situation, leading me to question whether they will be any good with the future. And even if the new generation of simulations can predict recent weather trends, I have to wonder about the potential for excessive post hoc curve-fitting. The Earth is one big sample-size-of-one experiment and that makes doing true science nearly impossible.

      --
      Two wrongs don't make a right, but three lefts do.
    2. Re:Not so by yerM)M · · Score: 1
      Yes - there are formulae for computing forces. But no, they don't bear much relation to reality Any simulation running anywhere near realtime is likely to be a purely classical simulation - balls and springs.
      You are preaching to the choir and any computation chemist worth his salt will tell you how far we have to go. The Merck force field actually performs better at generating bio-active conformations when electrostatics is turned off, mainly because the electrostatics of the protein completely masks the electrostatics of the ligand.

      I sit next to the guy who wrote Fred and he will gladly admit one of the best predictive scoring function is the order of the entry of the compound in the pharma companies database. I.e. old compounds are not active - at all.

      If you care to check you'll find very few cases of a drug discovery, say, resulting from a theoretical prediction about receptor binding.

      I disagree with this, but it does depend on your starting point. If you have a known molecule bound to a protein, we are very good at finding new binders, even from different chemical classes. That being said, de-novo design leaves a bad taste in my mouth.

      Finally, looking at the Scripps' website, they seem to be looking at very macro-structures like viruses. These were most likely imaged in solution using an nmr to generate the computer models. There is some pretty good software for doing these large scale fits (the homepage appears to be down). Essentially they are not doing drug-protein interactions but larger scale models. The question they are asking is if these molecules interact, how do they fit? They aren't predicting interaction, they already know that.

      This might be a cart-before the horse because if they generate a computer model that packs the structures together, it isn't surprising if the 3d printed ones do. I have more faith in this than predicting drug-receptor bindings.

    3. Re:Not so by robotkid · · Score: 1

      More preaching to the choir, but you don't even know how bad it truly is. The "point charge in a uniform field" bit actually isn't working all that well these days. . .when you try to represent water with a continuum dielectric the standard approximations that are fast enough to use in a motional simulation (generalized Born) have something like 50 percent error when applied to a protein. . .that 50 percent error really kills you when you're trying to propose a thesis. It's no wonder the drug industry is giving up on this stuff. We need something like a thousand times more computational power, about 5 nobel prizes worth of insight, maybe 20 years, then it might be truly viable.

  41. John Doe arrested for fondling underage... by leonbrooks · · Score: 1, Funny

    ...molecules, film at eleven?

    Hey! I touched molecules with my bare hands while I was typing this. Am I gunna get arrested too?

    Erk! Oh, no... I've just noticed these air molecule thingies that I'm constantly touching... they're everywhere! How can I escape?

    --
    Got time? Spend some of it coding or testing
    1. Re:John Doe arrested for fondling underage... by coopex · · Score: 1

      You're in pretty big trouble, most of the oxygen molecules probably are under 10 years old, much less if you live away from a city. Even wore, those CO2 molecules are only a few seconds old, you sick bastard! And then those Argon atoms, I've heard of guys liking older women, but a few billion years is just too much.

      --
      The road to hell is paved with good intentions.
  42. I'd rather touch BOOBS! by Anonymous Coward · · Score: 0

    god damn it, i'm such a slashdot geek, i need to fucking get laid! damn you slashdot! damn you all to hell!

  43. Touching molecules with bare hands by noamsml · · Score: 1

    look, i'm touching molecules with my bare hands!

    1. Re:Touching molecules with bare hands by noamsml · · Score: 1

      WHAT!? why did it remove my fake tag, thereforwe making my formerly-funny comment uselsess?

      original comment(before fake tage remoal):
      "[moving hand trough air] look!, i'm touching molecules with my bare hands!"

  44. The missing word by Forthan+Red · · Score: 1

    The word you apparently were struggling to come up with when composing the article's title, but failed, was "individual". Better luck next time.

  45. Re:In other, OTHER news... by coopex · · Score: 1

    From the article: http://abclocal.go.com/wpvi/news/04132004_bb_sapph ire.html Charles Gibson/Good Morning America: "It looks like water, but it's not." Well, Gasoline is a clear liquid, so it looks like water, I guess it must put out a fire! Also, can I get modded up cause I made a link?

    --
    The road to hell is paved with good intentions.
  46. Re:In other, OTHER news... by Anonymous Coward · · Score: 0

    It's clear? Last time I swam in it I couldn't see through it very well...but maybe...

  47. Righty O Mate! by Anonymous Coward · · Score: 0

    The Xeeenon atom is the deadliet of the noble gasses. Watch as I grab this sucker by its p-orbital. It hates that!

  48. Previous Work by IronicCheese · · Score: 2, Informative

    You REALLY have to give a tip of the hat to the folks at UNC who've been doing this sort of work for YEARS.

    Their GRASP system was a force-feedback molecule-docking simulation driven by a motorized WALDO arm. Very impressive. Nice to see that others are following in their footsteps.

    http://www.cs.unc.edu/Research/nano/cismm/

  49. Can this ever work? by Anonymous Coward · · Score: 0

    Not without yesterday's disco music... I LOVED those bits...

  50. The really amazing thing is... by base_chakra · · Score: 1

    ... if you pantomime a jerking-off motion, you can recombine DNA into Jimmy Kimmel.

  51. Computer manipulation is the easy part by sowalsky · · Score: 1

    The hard part about protein and molecule manipulation is getting in a pure form and obtaining the data about the molecule. For a single protein, it might not only take years to get the protein pure enough to work with, but once it is crystallized, you may get different versions of the data depending on crystallization conditions. For a given protein, you get at least two pieces of angle information for the phi and psi angles of the amide bond, plus any degree of rotation for the side chain. DNA can have any number of modifications detectable only by a good crystal, not to mention any proteins still attached to it.

    Granted, this technology is nice if it gives researchers a tactile response to protein shapes. But I really can't see how it does more than some of the sophisticated graphical programs available now, especially considering molecules do not "fit" together in a simple jigsaw fashion in 3-D space (air) when you must consider that cellular water creates a shield of hydration that greatly influences molecular collisions, plus any electrostatic potentials not apparent in a handheld structure.

  52. Re:Indeed by Anonymous Coward · · Score: 0

    The ability to interact on a molecular level using something as relatively clumsy as macro-scale touching is pretty impressive.

    "Hello, Macro, meet Micro, Micro, Macro."

    "Seen ya from a distance, good to finally have teh chance to interact."

    "Charmed, I'm sure."

  53. Twisted English by Anonymous Coward · · Score: 0

    "devised an incredibly interactive way to manipulate complex"

    I ask, can something be "incredibly" interactive? Isn't interactive a binary state? An entity is either interactive or not so how can there be degrees of interactive? Just my thoughts for today . . .

  54. Oh-o by Hsien · · Score: 1

    Just dont mistake them for jaffas and break them between your teeth...listerine would have nothing on the freshing action of an atomic exlosion in your oral cavity.

  55. Re:Indeed by Jesus_666 · · Score: 1

    HUMoR obviously has to be a compound of Hydrogen, Uranium, Molybdenum and a yet unknown element which has the R as it's symbol. It might be easier to use HUMoRh, althoughRhodium isn't a good substitute for "R".
    Replacing our mysterious "R" element with Rhodium might result in a damaged sense of HUMoR (a "sense of HUMoRh"), the most common symptom of which is the tendency to moderate HUMoRous posts down using "Overrated".

    Perhaps including more Rhodium in the jokes might make them appeal to people with a sense of HUMoRh.

    --
    USE HOT GRITS WITH STATUE OF NATALIE PORTMAN (NAKED AND PETRIFIED)
  56. Re:In other, OTHER news... by coopex · · Score: 1

    Are you a moron? Have you looked at gasoline? It's colorless, i.e. clear.

    --
    The road to hell is paved with good intentions.
  57. Breathe with me by Anonymous Coward · · Score: 0

    A few hits songs have been made by U2. I think O2 stands a chance

  58. Augmented reality by S3D · · Score: 1

    If you are wondering, how fingers positions tracked by camera, pay attention to small black and white squares on the end of the fingers. Those are square-shaped markers used in the ARToolkit - Open sourced, multiplatform Augmented reality library. ARToolkit is esy to use and with camera connected to PC and having camera SDK you can esily write your own augmented reality application. There are augmented relity libraries for cellular phones and pocket pc in development.

  59. Not quite not so by mhackarbie · · Score: 1
    Your criticisms may be more valid for computational chemistry, but they are certainly not as valid for biomolecular modeling. Modern interactive molecular dynamics simulations have become very useful for investigating complex sequences and interactions between biomolecules. They don't necessarily require high accuracy forcefields or QM methods to discover features such as hydrogen bonding patterns, steric clashes and distance constraints. It's true that having the accuracy will help, and modern forcefields and hybrid MM/QM software are making good progress in this direction. But there is a lot of higher-level information that can be displayed and utilized with rich 3D graphics and haptic simulations, especially in complex macromolecular systems.

    mhack

    --
    Building a better ribosome since 1997
  60. Hmm, maybe /. publicity bothered Scripps ... by mooncaine · · Score: 1

    In any case, I can't browse to those links you provided. "Connection was refused" by www.scripps.edu ....

  61. Re:Not quite not so by robotkid · · Score: 1

    Well, there's a big difference between "useful for limited sets of problems" and useful to biology in general. I'll point out you don't even NEED molecular dynamics if all you wanted was a static h-bonding pattern, steric clashes, and distance contraints. Rasmol and a structure file will do fine. The force fields are getting better but with the current machinery in place, we can never even hope in our wildest dreams that MD is going to tell us the mechanistic details of catalysis or protein-protein recognition if you just load a structure and hit "go". We still have to do a boatload of biochemistry, alot of mutational analysis (with hypothesis as deep as "this part looks important so lets kill it"). The "promise" of accurate simulations on the same timescale as the actual biochemical and (gasp) biological events the macromolecules perform is still a pipe dream.