3 | | October 21, 2021 |
| 3 | January 23, 2023 |
| 4 | |
| 5 | == R01 2022-2026 - ChimeraX -- Next Generation Visualization and Analysis Software for Multiscale Modeling == |
| 6 | |
| 7 | * Aim 1: Interactive visualization and analysis platform (ChimeraX) |
| 8 | - 1A: Analysis capabilities (.45 FTE) |
| 9 | - Prepare structures for docking/modeling. |
| 10 | - Sequence-structure analysis. |
| 11 | - Dimensionality reduction. |
| 12 | - 1B: Dissemination of results (.45 FTE) |
| 13 | - Animations. |
| 14 | - New glycan depictions. |
| 15 | - Improved interoperability with wwPDB repositories. |
| 16 | * Aim 2: Tools for electron microscopy of molecular assemblies and cells. |
| 17 | - 2A: Developments for electron microscopy of molecular assemblies (.35 FTE) |
| 18 | - Machine learning structure predictions. |
| 19 | - Visualization of molecular conformational heterogeneity using machine learning. |
| 20 | - Interactive molecular dynamics for fitting atomic models in maps. |
| 21 | - Faster map contouring and masking. |
| 22 | - Additional building and validation tools. |
| 23 | - 2B: Developments for electron tomography of cells (.53 FTE) |
| 24 | - Improved volumetric visualization using lighting. |
| 25 | - Visualizing, quantifying, and creating segmentations. |
| 26 | - Analysis tools for subtomogram averaging. |
| 27 | - Virtual reality visualization of tomograms. |
| 28 | * Aim 3: Provide a diverse software foundation enabling labs around the world to develop and distribute new molecular and cellular structure analysis software. |
| 29 | - 3A: New capabilities for plugin development (.35 FTE) |
| 30 | - A standard platform for machine-learning algorithms. |
| 31 | - Simple programming to access web services. |
| 32 | - Providing complex calculations with good user experience (long-running calculations). |
| 33 | - Programming examples. |
| 34 | - 3B: Expanding the distribution of plugins (.17 FTE) |
| 35 | - Utilizing the PyPi and Anaconda Python package managers. |
| 36 | - Cloud-based building of ChimeraX and plugins. |
| 37 | |