RSS 3 projects tagged "Chemistry"

No download Website Updated 23 Mar 2004 ODPdom

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Pop 17.23
Vit 1.00

ODPdom is a simple DOM (Document Object Model) parser. It can process large XML files.

No download Website Updated 07 Dec 2010 BALL

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Pop 43.27
Vit 3.56

The Biochemical ALgorithms Library (BALL) is a framework for rapid application development in molecular modeling and structural bioinformatics. BALL provides an extensive set of data structures as well as classes for molecular mechanics, advanced solvation methods, comparison and analysis of protein structures, file import/export, NMR shift prediction, and visualization. Its extensibility results from an object-oriented and generic programming approach.

Download Website Updated 08 Feb 2014 cclib

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Pop 61.81
Vit 2.85

cclib is a Python library for parsing and interpreting the results of computational chemistry packages. It currently parses output files from ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar, and PC GAMESS. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib also provides some calculation methods for interpreting some electronic properties of molecules using analyses such as Mulliken population analysis, overlap population analysis, and calculation of Mayer's bond orders.

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segatex

A GUI tool to configure SELinux policy.

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SeaMonkey

An all-in-one Internet application suite.