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The
component was originally developed as part of VAnimator, VCI's application for 3D
molecular viewing and movie creation. Designed as in-house tools at VCI, VAnimator
and the Mol3D control have many unique features, including code for integrating
with 3D Studio Max (a standard application for computer generated movies)
and code for multiple users to collaborate dynamically and interactively on a 3D model.
The Mol3D code is available for source code licensing and can be used directly as
an ActiveX control for 3D display in web pages and client applications.
The source code can also serve as a repository of tips, tricks and data models
for rendering fully interactive 3D molecular models. See below for a more complete
list of features.
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- Line
- Mark
- Ball and Stick
- Stick
- CPK
- size-dependent quality of rendering for improved quality of extreme close-up
images
- use of hemispheres for enhanced performance and quality
- Ribbon
- Support 4 different ribbon styles for protein
- Nucleic acid
- Labels
- Atom
- Bond
- Monomer
- Molecule
- Wide range of properties available for labeling each of these types as well
as user properties (see below)
- Color
- Widths
- Specular highlights, etc.
- Powerful Coloring Capabilities: color-code all display modes by a wide
range of properties including:
- Element
- Charge
- Atom Label
- Residue Number
- Residue Type
- Residue Secondary Structure
- Any user property
- May disable hydrogen display for particular display mode
- Rotation (x, y, z)
- Translation (x, y, z)
- Scaling
- Clipping plane width
- Field of view (perspective)
- Stereo angle
- Docking
- The ability to move a piece of the molecular system (the selection) with the
mouse
- Orthographic or perspective projection
- Side-by-side stereo
- Depth cueing
- Arbitrary position and color of light for solid objects
- Full control of attributes of camera, etc.
- Ability to create multiple lights (with different colors) for special
effects
- Mouse based atom selection
- Use freeform or rectangular lasso
- Can extend previous selection with Ctrl key
- Support for atom, monomer and molecule selection level (picking one atom
gets whole molecule, etc.)
- Can specify different rendering styles for a particular selection
- May later go back and edit display styles for these selections
- Allows highlighting of particular pieces of the molecular system
- Invert selection (make selection equal to all non-selected atoms)
- Cut and paste (parts of the molecular system or the whole molecular system)
- Delete (delete parts of or whole molecules)
- Use of external program, Babel, provides support for reading a very wide
range of molecular file formats, e.g.:
- PDB (Brookhaven)
- MDL
- BIOSYM car
- MSI Quanta/Charmm
- Tripos
- Gaussian
- Spartan
- Chem3D
- Mopac
- Paste From - ability to paste a separate molecular file format (of arbitrary
format) into an existing molecular system.
- Export molecular file output to the same wide range of file formats
supported by Babel
- Export/import of user data
- Can export all internal molecular properties (atom, monomer or molecule)
from the whole system or a subset to an external text file or clipboard
- Can read any set of data as user properties on atom, monomer or
molecule from external text file or clipboard.
- Can override existing atom properties (such as coordinates or charges) from
external text file or clipboard - for instance, allows display of results from
external simulation program.
- This capability provides the ability to cut and paste any data from
VAnimator to/from an external program, such as an Excel spreadsheet. This
coupled with the ability to color displays by arbitrary user property gives a
tremendous facility for displaying a user's data from a wide range of programs.
- OLE 2 server
- Can embed a VAnimator document into an external OLE container application
such as Microsoft Word.
- Allows incorporation of molecular display into another presentation or
report
- High resolution bitmap printing (up to printer resolution of e.g. 360dpi)
- Provides exceptional quality output even on deskjet printers
- Automatic scaling of linewidths to appear correctly on the printer
- Handles display of wide range of font annotations (cannot use e.g. Microsoft
Word annotations for very high resolution printing since Word does not print
embedded bitmaps at full printer resolution)
- VCI output format stores all program information (including all program
state)
- Register file types - simple registration of many file types so that
VAnimator may be used as an external WEB browser application
- Multi level undo/redo
- May undo any user interface command
- Toolbars
- Palette
- Facilitates changing mouse modes
- Main
- Can easily change rendering styles
- Also print, undo, cut and paste, etc.
- Transform
- Support for center/scale on selection
- Easy 90 degree x/y/z rotation
- Continuous rotation mode (x/y/z)
- Alignment
- Easy positioning of molecules relative to each other for presentation of
results
- Works much better than simple mouse based docking
- Special support for generation, manipulation, and display of spherical,
unilamellar liposomes
- Motions can be defined for:
- cameras
- lights
- scene objects
- Simulation trajectories can be tied into the movie (camera can move through
an active simulation)
- Motion Trajectories:
- based on user entered points
- based on molecular structure (e.g., camera can be tied to a protein backbone
for a fly-along)
- Output
- Microsoft AVI files
- Multiple simultaneous formats and speeds
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Getting Started
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Contact Virtual Chemistry to set up a web-based demonstration, to arrange for a trial version, or to have us answer any of your questions.
650.620.0090 (office)
info@VirtualChemistry.com
contact us
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