RSS 12 projects tagged "Mac OS X"

No download Website Updated 24 Feb 2007 APBS

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Pop 23.69
Vit 51.08

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.

Download Website Updated 10 Nov 2013 ATLAS

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Pop 311.65
Vit 42.22

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.

Download Website Updated 11 Nov 2013 CFD General Notation System

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Pop 52.16
Vit 8.18

The CFD General Notation System (CGNS) provides a general, portable, and extensible standard for the storage and retrieval of computational fluid dynamics (CFD) analysis data. CGNS is designed to facilitate the exchange of data between sites and applications, and to help stabilize the archiving of aerodynamic data.

No download Website Updated 02 Nov 2004 Cactus

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Pop 153.23
Vit 3.46

Cactus is a general, modular, parallel environment for solving systems of partial differential equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.

Download Website Updated 14 Nov 2013 Common Data Format

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Pop 138.33
Vit 16.14

The National Space Science Data Center's (NSSDC) Common Data Format (CDF) is a self-describing data abstraction for the storage and manipulation of multidimensional data in a platform- and discipline-independent fashion. It consists of a scientific data management package (known as the "CDF Library") that allows programmers and application developers to manage and manipulate scalar, vector, and multi-dimensional data arrays.

Download Website Updated 08 Apr 2010 GNU-Darwin

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Pop 68.41
Vit 3.02

GNU-Darwin aims to be the most free Darwin-based Unix distribution. Our mission is two-fold: focus on new projects that leverage the unique capabilities of Darwin/Mach, and help Apple users to enjoy the benefits of free software.

Download Website Updated 07 Feb 2014 GetDP

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Pop 292.26
Vit 26.58

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.

Download No website Updated 23 Jan 2014 LISPF4

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Pop 40.27
Vit 9.13

LISPF4 is an InterLisp interpreter written in FORTRAN in the early 1980s. This version has been converted to C and given the ability to have commandline determination of the memory size.

No download Website Updated 24 Feb 2007 PDB2PQR

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Pop 13.23
Vit 51.08

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.

Download Website Updated 27 Jan 2009 PLplot

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Pop 75.79
Vit 3.53

PLplot is a library of C functions that are useful for making scientific plots from programs written in a wide variety of languages. It can be used to create standard x-y plots, semi-log plots, log-log plots, contour plots, 3D plots, shade (gray-scale and color) plots, mesh plots, bar charts, and pie charts. Multiple graphs may be placed on a single page with multiple lines in each graph. Different line styles, widths, and colors are supported. A virtually infinite number of distinct area fill patterns may be used. A variety of output devices and file formats are supported.

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