Gwyddion is a modular SPM (Scanning Probe Microsope) data visualization and analysis tool. It can be used for all most frequently used data processing operations including: leveling, false color plotting, shading, filtering, denoising, data editing, integral transforms, grain analysis, profile extraction, fractal analysis, and many more. The program is primarily focused on SPM data analysis (e.g. data obtained from AFM, STM, NSOM, and similar microscopes). However, it can also be used for analyzing SEM (scaning electron microscopy) data or any other 2D data.
The FOX (Free Objects for Crystallography) program is made for determining crystal structure ab initio from diffraction data (mostly powder diffraction). It is built on an object-oriented crystallographic computing library called ObjCryst++. FOX features a graphical interface, including a 3D OpenGL display of the crystal structure. It provides a versatile description of the crystal structures (such as atoms, molecules, and polyhedra). Special positions and overlapping atoms are automatically handled without any a priori knowledge.
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, implicit solvent molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, and biomolecular titration studies.
PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB format to PQR format. These tasks include adding a limited number of missing heavy atoms to biomolecular structures, determining side-chain pKas, placing missing hydrogens, optimizing the protein for favorable hydrogen bonding, assigning charge and radius parameters from a variety of force fields.
iNA is a computational tool for quantitative analysis of fluctuations in biochemical reaction networks. Such fluctuations, also known as intrinsic noise, arise due to the stochastic nature of chemical reactions and cannot be ignored for when some molecules are present only in very low copy numbers as is the case in living cells. The SBML-based software computes statistical measures such as means and standard deviations of concentrations within a given accuracy using the analytical system size expansion. The result of iNA’s analysis can be tested against the computationally much more expensive stochastic simulation algorithm.
San Le's Free Computational Electromagnetics (SLFCEM) is a package of scientific software for use in computational electromagnetics. Command-line driven calculation engines are separate from the GUI components and can be used independently. It includes two of the basic finite elements types, 4 node quad and 3 node triangle. Each element type has a unique GUI specific to the element. Modal analysis for solving the waveguide problem is done using edge based elements. There is also code for generating edge connectivity. The algorithm used is a combination of Lanczos for tridiagonalization of the system, as well as QR to calculate the resulting eigenvalues. In addition to skyline storage and LU decomposition, calculations are also made using the Conjugate Gradient Method.
Penumbra is a first person horror adventure focusing on story, immersion, and puzzle solving. Violence and combat are hardly an option: the player has to use wits to guide Philip through his final test, which makes the series unique in offering a truly dangerous and terrifying experience. Played from a first person perspective and powered by a 3D engine utilizing cutting edge technology, Penumbra is a true advancement to the adventure genre. The unique physics system allows for true environmental interaction: The player can open drawers, pull levers, pick up objects and manipulate those objects in 3D space, all using natural mouse movements. This creates a highly interactive and immersive game world.
Bullet is a 3D game multiphysics library that provides state of the art collision detection and soft body and rigid body dynamics. Bullet is integrated into Cinema 4D, Lightwave, and Blender. A Houdini and Maya Plugin is available. It has a modular extendible C++ design with hot-swap of most components. The back-ends were optimized for pthreads/Win32 Threads multi-threading and PS3 Cell SPU. Other features include discrete and continuous collision detection (CCD), swept collision queries, ray casting with custom collision filtering, generic convex support (using GJK), capsule, cylinder, cone, sphere, box, and non-convex triangle meshes. Rigid body dynamics include constraint solvers, generic constraints, ragdolls, hinges, and ball-sockets. Constraint limits and motors are supported. Soft body support includes cloth, rope, and deformable objects. Import and export into COLLADA 1.4 Physics format is supported. Dynamic deformation of non-convex triangle meshes is supported by refitting the acceleration structures.