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HDF4 (originally known as HDF) is file format for storing scientific data and a software library that provides high-level APIs and a low-level data access interface. HDF technologies at present include two data management formats (HDF4 and HDF5) and libraries, a modular data browser/editor, associated tools and utilities, and a conversion library. Both HDF4 and HDF5 were designed to be a general scientific format, adaptable to virtually any scientific or engineering application, and also have been used successfully in non- technical areas. The Open Source format is a key technological foundation for HDF core technologies. It allows users to collaborate with The HDF Group regarding functionality requirements and permits users' experience and knowledge to be incorporated into the HDF product when appropriate. It also permits users and organizations without adequate technology resources to use a sophisticated and robust data management tool for no charge.

Scientific software for performing large computations is typically managed using textual control files that specify the parameters of the computation. Historically, these control files have typically consisted of long, inflexible collections of numbers whose meaning and format is hard-coded into the program. With libctl, we make it easy for programmers to support a greatly superior control file structure, and with less effort than was required for traditional input formats. The "ctl" in "libctl" stands for Control Language (by convention, libctl control files end with ".ctl" and are referred to as ctl files). Thus, libctl is the Control Language Library (where the "lib" prefix follows the Unix idiom).

libghemical is a support library packages for biology/ghemical

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.)

Perl module which generates a three-dimensional molecular structure from a connection table, such as that obtained by a 2D representation of the molecule or from a SMILES string.

Chemistry::Elements provides an easy, object-oriented way to keep track of your chemical data. Using either the atomic number, chemical symbol, or element name you can construct an Element object. Seamus Venasse <svenasse@polaris.ca>

Perl module which provides functions for "canonicalizing" a molecular structure; that is, to number the atoms in a unique way regardless of the input order.

Perl module which contains the exact mass data from the table of the isotopes.

Match molecule by formula

Perl module implements an object class for representing internal coordinates and provides methods for converting them to Cartesian coordinates.