STM3 module list

This is the list of STM3 modules in the October 10th, 2003 version.

The standard AVS/Express documentation instead provides reference for the standard modules used or modified inside STM3.

The modules are grouped by function:

ReadersReaders for various, static and dynamic, chemical file formats.
Molecular ModulesModules that compute various derived structures from the molecule.
Utility ModulesManipulation of molecules like atom selection.
Crystallography ModulesUnit cells, periodic lattices and symmetries support.
Gaussian Cube Utility ModulesGaussian output density cubes visualization and manipulation.
DisplayFinal rendering of molecular data, legends and interaction with the viewer.
OutputOutput to image files, movies and other formats of the visualized information.
Full ApplicationsReady to run applications.
Hidden ModulesModules used, but not directly accessible from the STM3 library.

To start using STM3 drag one of the Full Applications modules (MolDisplayApp or AnimDisplayApp for example) to the Network Editor area.

Readers

Read MoleculeRead various chemistry data formats
Read Anim MoleculeRead animated chemistry data formats
Read Gaussian CubeRead Gaussian cube density data

Molecular Modules

Compute SE SurfaceCompute the molecule Solvent Excluded Surface using the MSMS (Molecular Surface Computation Home Page - Michel F. Sanner) tool.
Accumulate TracesAccumulate traces (accumulated positions) for specific atoms in a sequence of time steps
NCAC TubeCompute the N-CA-C tube
Find TetrahedraDisplay tetrahedra around specific atoms
Particle DensityCompute the average particle mass density using uniform binning
Velocity MeanCompute the average particle velocity using uniform binning

Utility Modules

Select AtomsSelect specific atoms (pass, remove, pass similar, remove similar)
Select ResiduesSelect residues (pass, remove, pass similar, remove similar)
Add BondsManually add bonds between atoms
Cut SurfaceCut a surface (eg. the Solvent Excluded Surface) with a plane
Bicolor SurfaceColor a surface on one side only
Count BondsAdd as atom parameter (the atom charge field is used) its number of bonds
Crop AtomsCrop the molecule inside a box, cylinder or sphere
Threshold ChargeSelect atoms whose charge value meets various criteria

Crystallography Modules

Display Unit CellDisplay the boundary of the crystal unit cell
Replicate LatticeReplicate the molecule unit cell to form the crystal lattice
Miller PlaneVisualize the plane identified by given Miller indices. Optionally remove atoms above or below it
Recompute BondsRecompute bonds after a molecule replication
Crop Unit CellExtract a subcell from the unit cell with sides parallel to those of the unit cell itself
Apply SymmetriesThe input molecule atoms are duplicated according to its space group symbol symmetries

Gaussian Cube Utility Modules

IsosurfaceCreate an isosurface for a given density cube
Cube on SurfaceMap density values on a given surface
Float 2 ByteTransform a cube with float values to byte values suitable for volume rendering

Display

Display MoleculeDisplay the molecule with selectable quality and performance levels
Color LegendDisplay a legend for the molecule representation colors (charge values or atom type color codes)
Pick AtomDisplay information on the picked atom (pick using ctrl-click) or distances and angles

Output

output imageMake a hardcopy of the screen
make movieCreate a movie
Write POV RayWrite the current view as a POV-Ray raytracer scene
Write PDBOutput the molecular structure in PDB format (with animation support)

Full Applications

MolDisplayAppRead and display a molecule
AnimDisplayAppRead and display a molecule animation
PickMoleculeAppSame as MolDisplayApp plus the atom picking feature
TracesDisplayAppDisplay traces (accumulated positions) for specific atoms in a molecule traiectory
Scat2VolumeAppDisplay atoms as transparent/not transparent spheres depending on the charge value
ParticleDensityAppDisplay particle mass density as an isovolume

Hidden Modules

MolViewerThe modified viewer used by the various full applications
MolecularDataTypeDatatype used by the modules that operate on molecular data
DisplayParamsDatatype that carries information on how the molecules are renderend on screen
Scat to VolumeConvert the molecule to an uniform volume in which sites occupied by atoms are are represented as spheres of points. Each point has value corresponding to the charge atom value.