The GRASP Project has created an algorithmic-level graphical representation for software called the Control Structure Diagram (CSD). The CSD was created to improve the comprehension efficiency of Ada source code and, as a result, improve software reliability and reduce software costs. Since its creation, the CSD has been expanded and adapted to include other languages. GRASP provides the capability to generate CSD's from Ada 95, C, C++, Java, and VHDL source code in both a reverse and forward engineering mode with a level of flexibility suitable for professional application. GRASP has been integrated with the GNU family of compilers for Ada (GNAT) and C (gcc), and Sun's javac compiler for Java. Use of GRASP is not restricted to these compilers, however. This has resulted in a comprehensive graphically-based development environment for these languages. The user may view, edit, print, and compile source code as CSDs with no discernible addition to storage or computational overhead.
GetDP is a general finite element solver using mixed elements to discretize de Rham-type complexes in one, two, and three dimensions. The main feature of GetDP is the closeness between the input data defining discrete problems (written by the user in ASCII data files) and the symbolic mathematical expressions of these problems.
Open Watcom consists of the famous Watcom C++ and WATFOR compilers -- now open source. Open Watcom is mainly used for developing embedded, DOS, and ncurses software. Open Watcom includes the C/C++/Fortran IDE from Watcom for DOS and a full set of command-line tools for compilation, including the superb Watcom debugger. Open Watcom emits easy-to-understand errors and warnings when things go wrong. Open Watcom generates small statically linked binaries for Linux, Win32, Win16, OS/2, QNX, NetWare, and MS-DOS real and protected mode, among other targets. However, Open Watcom is still only beta-quality on Linux and BSD. The two most serious issues are imperfect C++ template support and an inability to dynamically link with shared libraries built by GCC. Also, Open Watcom is released under the Sybase Open Watcom Public License, which is considered non-free by most Debian Linux developers. NOTE: Open Watcom binaries for Linux are not available anywhere. You must build it yourself. 1.5 has known build issues on Linux; use version 1.4 or the current daily build instead.
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.
The TIGL Geometry Library can be used for easy processing of geometric data stored inside CPACS data sets. TIGL offers query functions for the geometry structure. These functions can be used, for example, to detect how many segments are attached to a certain segment, which indices these segments have, or how many wings and fuselages the current airplane configuration contains. This functionality is necessary because TIGL targets not only the modeling of simple wings or fuselages but also the description of quite complicated structures with branches or flaps. The library uses the OpenCASCADE software to represent the airplane geometry by B-spline surfaces in order to compute surface points and also to export the geometry in the IGES/VTK format. The library provides external interfaces for C, C++, Python, Java, and FORTRAN.
The ATLAS (Automatically Tuned Linear Algebra Software) project is an ongoing research effort focusing on applying empirical techniques in order to provide portable performance. It provides C and Fortran77 interfaces to a portably efficient BLAS implementation, as well as a few routines from LAPACK.