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<h3>Desiderata for Diamond Age
</h3>
Current status is shown in [brackets]; [*] means essentially done. [] means not started.
[n/m] means
<ul>
<li><font size="+1">Files:</font>
<ul>
<li> Loading molecule (atomic position) files in various formats [pdb, mmp]
</li>
<li> Saving to various formats [mmp]
<ul>
<li> as single file [*]</li>
<li> as multiple files</li></ul>
</li>
<li> Managing project directories and libraries
</li>
<li> Producing pictures, movies [ppm]
</li></li></ul>
<li><font size="+1">File structure:</font>
<ul>
<li> Atoms [*]
</li>
<li> Bonds [*]
</li>
<li> Parts/molecule hierarchy [1]
</li>
<li> Jigs
<ul>
<li> Shapes
</li> <li> Motors [1]
</li> <li> Springs
</li> <li> Dashpots
</li> <li> Constraints [1]
</li> <li> Heatsinks
</li> </ul>
</li>
<li> Instrumentation
<ul>
<li> Position, velocity readouts
</li> <li> Thermometers
</li> <li> Dynamometers
</li> <li> Other force, energy readouts
</li> </ul>
</li>
<li>
Movie files
<ul>
<li> video [1]</li>
<li> trajectory</li>
</ul>
</li>
</ul></li>
<li>
<font size="+1">Display:</font>
<ul>
<li> Multiple assemblies [*]</li>
<li> Multiple views per assembly</li>
<li> Measurement
<ul>
<li> Grids [2]</li>
<li> Rulers</li>
<li> Dividers</li>
<li> Parallels</li>
<li> Pantographs</li>
<li> Envelopes</li>
</ul></li>
<li> Representations
<ul>
<li> Invisible [*]</li>
<li> bond-lines [*]</li>
<li> CPK [*]</li>
<li> van der Waals [*]</li>
<li> Lozenge</li>
<li> Open bonds</li>
<li> Bounded continuum</li>
<li> Surface types</li>
<li> Structural</li>
<li> Diagrammatic</li>
</ul></li>
<li> Variation of Representation
<ul>
<li> Hierarchical [3]</li>
<li> Zoned [.5]</li>
<li> Structure-dependent</li>
</ul></li>
<li> Manipulation
<ul>
<li> Viewpoint
<ul>
<li> Trackball [*]</li>
<li> Pan [*]</li>
<li> Zoom [*]</li>
<li> predefined orientations [*]</li>
</ul></li>
<li> Selection
<ul>
<li> All [2]</li>
<li> None [*]</li>
<li> Invert [2]</li>
<li> Connected [*]</li>
<li> Doubly Connected [*]</li>
<li> By pointing [2]</li>
<li> By circling [1]</li>
</ul></li>
<li>
Motion of selection
<ul>
<li> Trackball [*]</li>
<li> XYZ [*]</li>
</ul></li></ul></li>
<li> Info displays (status line, etc)
<ul>
<li> Indicator for invisible selection</li>
<li> Other selection status</li>
<li> Forces, stiffnesses, thermal postional uncertainty</li>
<li> Atom type, bonding</li>
</ul></li>
<li> Side view
<ul>
<li> clipping planes</li>
<li> Cookie-cutter sheet surfaces</li>
<li> Point of view</li>
</ul></li>
<li> Hardware
<ul>
<li> Joystick</li>
<li> Spaceball</li>
<li> Dataglove</li>
<li> Haptic manipulator</li>
<li> Stereo view</li>
<li> Multiple monitors</li>
</ul> </li>
</ul>
</li>
<li><font size="+1">Structural manipulation</font>
<ul>
<li> Edit as tree structure
<ul>
<li>With copying</li>
<li>With reference</li>
<li>With parametrization</li>
<li>With analogical quadrature</li>
</ul></li>
<li> Undo
</li>
<li> Selection
<ul>
<li>Separate [*]</li>
<li>Merge</li>
<li>Unbond</li>
<li>Bond</li>
<li>Delete [*]</li>
<li>Duplicate [*]</li>
</ul></li>
<li> Creating Structure
<ul>
<li>Cutting out shapes [*]</li>
<li>Filling CSG shapes</li>
<li>Welding existing structure</li>
<li>Structure-shape interaction</li>
<li>Creating/modifying motors and instruments [2]</li>
<li>Creating/modifying shapes as jigs</li>
</ul></li>
<li> Deposition
<ul>
<li>Atom-by atom</li>
<li>Spray</li>
<li>Passivation by transmutation [*]</li>
</ul></li>
<li> Multiple application
<ul>
<li>Copy-Move-Bond</li>
<li>iterative (crystal lattice)</li>
<li>Symmetrical
<ul> <li>Bilateral</li>
<li>Radial</li>
<li>Cylindrical</li></ul></li>
<li>Recursive (L-systems)</li>
<li>Macros
<ul> <li>Keyboard</li>
<li>Scripts</li></ul>
</li></ul></li>
<li> Minimization
<ul>
<li>Free</li>
<li>With applied forces</li>
<li>With motion constraints</li>
</ul></li></ul></li>
<li><font size="+1">Libraries</font>
<ul>
<li>Ontology</li>
<li>Parametrization</li>
<li>Substructures (Kaehler brackets)</li>
<li>Parts</li>
<li>Higher-level structures</li>
<li>Automatic parts selection</li>
</ul></li>
<li><font size="+1">Analysis</font>
<ul><li>
Static
<ul>
<li>Stiffness</li>
<li>Thermal variation</li>
<li>PES mapping</li>
<li>Configuration space</li>
</ul></li><li>
Dynamic
<ul>
<li>Molecular dynamics [*]</li>
<li>Kinematic trajectory</li>
<li>Multi-level simulation
<ul>
<li>Ab initio</li>
<li>Density functional</li>
<li>Charge semi-empirical</li>
<li>Bond mechanics [*]
Reduced hydrogen model</li>
<li>Bounded Continuum</li>
<li>Finite element</li>
<li>Rigid parts</li>
<li>Schematic</li>
</ul></li></ul></li><li>
Control inputs for tests
<ul>
<li>Real-time manual</li>
<li>Signal trace (Line Graphs)</li>
<li>Scripts</li>
</ul></li><li>
Output for instruments
<ul>
<li>Real-time meters, graphics</li>
<li>Signal trace (Line Graphs)</li>
<li>Statistical Summaries</li>
</ul></li></ul>
<li><font size="+1">Program organization</font>
<ul>
<li>Stand-alone</li>
<li>Client-server</li>
<li>Interoperability</li>
<li>Scripting</li>
<li>Plug-ins</li>
<li>Collaborative design assistance</li>
</ul></li></ul>
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