| | 1 | = Medical Science Computing contract Ideas = |
| | 2 | |
| | 3 | Feb 13, 2019 |
| | 4 | |
| | 5 | == Background == |
| | 6 | What developments should we propose for a March 2019 one year subcontract with |
| | 7 | Medical Science Computing? Meghan !McCarthy and Darrell Hurt say it can be broader |
| | 8 | than medical imaging and VR. Meghan mentioned next gen NIH 3D print exchange |
| | 9 | including VR/AR with those models and in-browser visualization (specifically the |
| | 10 | WebXR preliminary standard) and tutorials. She also mentioned cytoscape 3d and VR viz. |
| | 11 | Darrell said though that the focus should be VR. There was some discussion of the |
| | 12 | NIAID interest in vacine development and molecular visualization and analysis. |
| | 13 | |
| | 14 | == General Considerations == |
| | 15 | |
| | 16 | Should we propose new areas like web VR or augmented reality or machine learning? |
| | 17 | |
| | 18 | VR has uses for demonstrations, collaboration, and analysis. Where should we focus? |
| | 19 | |
| | 20 | ChimeraX has VR capabilities for molecular structure, electron microsocopy, optical |
| | 21 | microscopy, medical imaging. Which application area should we focus on? |
| | 22 | |
| | 23 | == Relation to our other VR projects == |
| | 24 | |
| | 25 | What do I want to do with VR in the next year? Would like to move it beyond |
| | 26 | demonstrations, advance its use for collaboration an analysis in other labs. |
| | 27 | The main ingredient needed is collaborators with specific problems. Maybe the |
| | 28 | most promising chance for that is in cryoEM atomic model building with Yifan |
| | 29 | and Adam. I need to get Dyche and Max Krummel setup up for optical microscopy VR. |
| | 30 | Also I have more to do on binding site VR for Koda-Kimble award. MSC does not |
| | 31 | have end-users so they are not the collaborators. Proposed projects need specific |
| | 32 | collaborators who will be using the tools. |
| | 33 | |
| | 34 | == What does NIAID want? == |
| | 35 | |
| | 36 | An key missing part of the picture is what exactly the MSC contract from NIAID |
| | 37 | is funding. A subcontract would of course need to be aligned with the goals of |
| | 38 | the primary contract. If we don't know those details then we may propose things |
| | 39 | that are not in the scope of what can be funded. |
| | 40 | |
| | 41 | == Interesting application areas == |
| | 42 | |
| | 43 | === Segmentation using VR === |
| | 44 | |
| | 45 | Use [http://www.simpleitk.org Simple ITK] in ChimeraX. [wiki:HurtITK Darrell Hurt says] NIAID has hired SimpleITK team |
| | 46 | |
| | 47 | Slicer [https://www.youtube.com/watch?v=BJoIexIvtGo&feature=youtu.be grow from seeds] segmentation, cardiac CT |
| | 48 | |
| | 49 | |
| | 50 | Slicer [https://www.youtube.com/watch?v=0at15gjk-Ns&feature=youtu.be scissor projection tool], masking to sphere (volume eraser) for hip ball joint |
| | 51 | |
| | 52 | |
| | 53 | Machine learning segmentation methods for medical images and [https://www.allencell.org/label-free-determination.html cell microscopy]. Need to investigate medical imaging methods that could be used |
| | 54 | |
| | 55 | Segger watershed segmentation, especially hand mode used with [http://www.cgl.ucsf.edu/chimera/data/ncsm-nov2012/microscopy.html termite gut]. |
| | 56 | |
| | 57 | Tools to adapt to VR: |
| | 58 | - Volume eraser |
| | 59 | - Hide dust |
| | 60 | - Show only largest connected blobs |
| | 61 | - Loop tracing |
| | 62 | - Masking to surface to create binary segmentation |
| | 63 | |
| | 64 | === Building molecular models in cryoEM using VR === |
| | 65 | |
| | 66 | - ISOLDE in VR |
| | 67 | - Rotamers |
| | 68 | - Build structure |
| | 69 | - Clashes |
| | 70 | - OpenMM and MD tools |
| | 71 | * parameterization |
| | 72 | * charges |
| | 73 | - Interactive local energy minimization |
| | 74 | |
| | 75 | === NIH 3D === |
| | 76 | |
| | 77 | 3D printing needs |
| | 78 | - Color printing format requirements |
| | 79 | - Reduced level of detail controls |
| | 80 | |
| | 81 | Web VR visualization |
| | 82 | - Primarily for communication and education |
| | 83 | - AltPDB. ChimeraX exports glTF scene used with !AltSpace to provide Web VR collaborative molecular PDB display (ribbons, surfaces, atoms). |
| | 84 | - [https://www.stevenabbott.co.uk/practical-solubility/Peptides-VR.php Peptide solubility Web VR app]. Solid phase protein synthesis, Steve Kent, Steven Abbott |
| | 85 | |
| | 86 | - Could ChimeraX offer web browser connection for multiperson VR viewing-only mode? Or just export to an AltSpace or other social VR site with one button click? |
| | 87 | |
| | 88 | === Medical and optical image visualization === |
| | 89 | |
| | 90 | - [https://www.allencell.org/photorealistic-cells.html Photorealistic lighting] from Allen Cell Science. |
| | 91 | |
| | 92 | - Presets for coloring [https://en.wikipedia.org/wiki/Hounsfield_scale#Value_in_parts_of_the_body different tissues] |
| | 93 | * Horos |
| | 94 | - Smart initial coloring (bones, different organs or tissue types) |
| | 95 | - Machine learning to [https://www.allencell.org/label-free-determination.html color organelles in cells]. [https://www.alleninstitute.org/what-we-do/cell-science/news-press/press-releases/machine-learning-technique-predict-human-cells-organization-published-nature-methods Video]. |
| | 96 | |
| | 97 | |
| | 98 | |
| | 99 | === VR training === |
| | 100 | |
| | 101 | Mixed reality video capture shows person and data. |
| | 102 | - For tutorials and explaining research results to public. |
| | 103 | |
| | 104 | How-To screen capture videos |
| | 105 | |
| | 106 | Multiperson VR sessions for remote training, possibly group training. |
| | 107 | |
| | 108 | === Multiperson VR === |
| | 109 | Remote and same room collaborative VR discussions. |
| | 110 | |
| | 111 | Allow any participant to bring in new data. |
| | 112 | |
| | 113 | Task specific user interfaces |
| | 114 | - Drug binding analysis user interface |
| | 115 | - Medical imaging |
| | 116 | - Optical microscopy |
| | 117 | - cryoEM modelling |