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mol2ps is a freely available command-line utility program which reads molecular structure files in different formats and generates Postscript output for 2D display. The Postscript file can then be used e.g. for creating a bitmap file, using a Postscript interpreter like Ghostscript.

The MIT Photonic-Bands (MPB) package is a free program for computing the band structures (dispersion relations) and electromagnetic modes of periodic dielectric structures, on both serial and parallel computers. It was developed by Steven G. Johnson at MIT in the Joannopoulos Ab Initio Physics group. This program computes definite-frequency eigenstates of Maxwell's equations in periodic dielectric structures for arbitrary wavevectors, using fully-vectorial and three-dimensional methods. It is especially designed for the study of photonic crystals (a.k.a. photonic band-gap materials), but is also applicable to many other problems in optics, such as waveguides and resonator systems. (For example, it can solve for the modes of waveguides with arbitrary cross- sections.)

MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrodinger equation. It runs on a wide range of architectures ranging from individual workstations to symmetric multiprocessors to massively parallel computers. Its design is object oriented, using C++. Capabilities o Closed shell and general restricted open shell Hartree-Fock energies and gradients o Second order open shell perturbation theory (OPT2[2]) and Z-averaged perturbation theory (ZAPT2) energies. o Second order closed shell Moller-Plesset perturbation theory energies and gradients. o Robust internal coordinate geometry optimizer that efficiently optimizes molecules with many degrees of freedom. You can also validate your mpqc binaries when you employ other settings by: % make validate >& validate.log & (it may take few days, though) For details, please see file:///usr/local/share/doc/mpqc/hierarchy.html or http://www.mpqc.org/mpqc-html/mpqcval.html

Code Saturne is a system designed to solve the Navier-Stokes equations in the cases of 2D, 2D axisymmetric or 3D flows. Its main module is designed for the simulation of flows which may be steady or unsteady, laminar or turbulent, incompressible or potentially dilatable, isothermal or not. Scalars and turbulent fluctuations of scalars can be taken into account. The code includes specific modules, referred to as "specific physics", for the treatment of lagrangian particle tracking, semi-transparent radiative transfer, gas combustion, pulverised coal combustion, electricity effects (Joule effect and electric arcs) and compressible flows. The code also includes an engineering module, Matisse, for the simulation of nuclear waste surface storage. Code_Saturne relies on a finite volume discretisation and allows the use of various mesh types which may be hybrid (containing several kinds of elements) and may have structural non-conformities (hanging nodes). NCS means "Noyau Code Saturne", i.e. "Code Saturne Kernel". This is the numerical solver.

NetCDF (network Common Data Form) is an interface for array-oriented data access and a library that provides an implementation of the interface. The netCDF library also defines a machine-independent format for representing scientific data. Together, the interface, library, and format support the creation, access, and sharing of scientific data. The netCDF software was developed at the Unidata Program Center in Boulder, Colorado.

NetCDF (network Common Data Form) is an interface for array-oriented data access and a library that provides an implementation of the interface. The netCDF library also defines a machine-independent format for representing scientific data. Together, the interface, library, and format support the creation, access, and sharing of scientific data. The netCDF software was developed at the Unidata Program Center in Boulder, Colorado.

NetCDF (network Common Data Form) is an interface for array-oriented data access and a library that provides an implementation of the interface. The netCDF library also defines a machine-independent format for representing scientific data. Together, the interface, library, and format support the creation, access, and sharing of scientific data. The netCDF software was developed at the Unidata Program Center in Boulder, Colorado.

NIfTI-1 is an Analyze-style data format, proposed by the NIfTI DFWG as a short-term measure to facilitate inter-operation of functional MRI data analysis software packages.

Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry. Features currently include: * A huge variety of common chemical file formats * Recognition of file type based on filename extension * SMARTS matcher * Flexible atom typer * Gasteiger partial charge calculation * Hydrogen addition and deletion * Automatic feature perception (rings, hybridization, aromaticity) * Multiple conformer storage within molecules * Command line interface development class * Bitvector class * Open-source/Free Software under the GNU General Public License * Cross platform (Windows, Linux, Mac OS X, SGI, Solaris, Dreamcast...)