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:
Readers | Readers for various, static and dynamic, chemical file formats. |
Molecular Modules | Modules that compute various derived structures from the molecule. |
Utility Modules | Manipulation of molecules like atom selection. |
Crystallography Modules | Unit cells, periodic lattices and symmetries support. |
Gaussian Cube Utility Modules | Gaussian output density cubes visualization and manipulation. |
Display | Final rendering of molecular data, legends and interaction with the viewer. |
Output | Output to image files, movies and other formats of the visualized information. |
Full Applications | Ready to run applications. |
Hidden Modules | Modules 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.
Read Molecule | Read various chemistry data formats |
Read Anim Molecule | Read animated chemistry data formats |
Read Gaussian Cube | Read Gaussian cube density data |
Compute SE Surface | Compute the molecule Solvent Excluded Surface using the MSMS (Molecular Surface Computation Home Page - Michel F. Sanner) tool. |
Accumulate Traces | Accumulate traces (accumulated positions) for specific atoms in a sequence of time steps |
NCAC Tube | Compute the N-CA-C tube |
Find Tetrahedra | Display tetrahedra around specific atoms |
Particle Density | Compute the average particle mass density using uniform binning |
Velocity Mean | Compute the average particle velocity using uniform binning |
Select Atoms | Select specific atoms (pass, remove, pass similar, remove similar) |
Select Residues | Select residues (pass, remove, pass similar, remove similar) |
Add Bonds | Manually add bonds between atoms |
Cut Surface | Cut a surface (eg. the Solvent Excluded Surface) with a plane |
Bicolor Surface | Color a surface on one side only |
Count Bonds | Add as atom parameter (the atom charge field is used) its number of bonds |
Crop Atoms | Crop the molecule inside a box, cylinder or sphere |
Threshold Charge | Select atoms whose charge value meets various criteria |
Display Unit Cell | Display the boundary of the crystal unit cell |
Replicate Lattice | Replicate the molecule unit cell to form the crystal lattice |
Miller Plane | Visualize the plane identified by given Miller indices. Optionally remove atoms above or below it |
Recompute Bonds | Recompute bonds after a molecule replication |
Crop Unit Cell | Extract a subcell from the unit cell with sides parallel to those of the unit cell itself |
Apply Symmetries | The input molecule atoms are duplicated according to its space group symbol symmetries |
Isosurface | Create an isosurface for a given density cube |
Cube on Surface | Map density values on a given surface |
Float 2 Byte | Transform a cube with float values to byte values suitable for volume rendering |
Display Molecule | Display the molecule with selectable quality and performance levels |
Color Legend | Display a legend for the molecule representation colors (charge values or atom type color codes) |
Pick Atom | Display information on the picked atom (pick using ctrl-click) or distances and angles |
output image | Make a hardcopy of the screen |
make movie | Create a movie |
Write POV Ray | Write the current view as a POV-Ray raytracer scene |
Write PDB | Output the molecular structure in PDB format (with animation support) |
MolDisplayApp | Read and display a molecule |
AnimDisplayApp | Read and display a molecule animation |
PickMoleculeApp | Same as MolDisplayApp plus the atom picking feature |
TracesDisplayApp | Display traces (accumulated positions) for specific atoms in a molecule traiectory |
Scat2VolumeApp | Display atoms as transparent/not transparent spheres depending on the charge value |
ParticleDensityApp | Display particle mass density as an isovolume |
MolViewer | The modified viewer used by the various full applications |
MolecularDataType | Datatype used by the modules that operate on molecular data |
DisplayParams | Datatype that carries information on how the molecules are renderend on screen |
Scat to Volume | Convert 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. |