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Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.
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Software Development Lohninger Software Development Lohninger Home Epina SDL SDL Component Suite Application Software Electronic Books Order Purchase Registered Users Infos, Tips Tricks Download Helpdesk Our partners c) 2004 Epina GmbH Software Development Lohninger, A-3013 Pressbaum, Austria, Europe Web www.lohninger.com...Open source Java computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures.
http://cdk.sourceforge.net/
Open-source C++ library for molecule file conversion and pattern matching.
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Open Babel: A Package to Decypher Computational Chemistry 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...Free library for molecular modeling applications. Written in Python, with a few portions in C. Downloads, examples, documentation, and wiki.
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MMTK Home Page Source program library for molecular simulation applications. In addition to providing ready-to-use implementations of standard algorithms, MMTK serves as a code basis that can be easily extended and modified to deal with standard and non-standard problems in molecular simulations. The...A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some of the tools are distributed freely in precompiled form.
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CACTVS System Homepage Services implemented with CACTVS technology Frequently Asked Questions CACTVS Chemical MIME configuration hints WWW Reference Pages Contact the Author Evolution of the CyberCactvs Back to the TORVS home page Back to the CCC home page Last update: December 18th, 1996...Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.
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PerlMol Perl Modules for Molecular Chemistry Perl modules for chemoinformatics and computational chemistry with the philosophy that simple things should be simple It should be possible to write one-liners that use this toolkit to do meaningful molecular munging The PerlMol toolkit provides objects and methods for...Free Java computational chemistry library with support for file conversion, SMARTS substructure search, QSAR descriptor calculation, and process/filter methods for molecular data sets.
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JOELib/JOELib2: Home Lib align absmiddle width 16 height 16 border 0 Home Home Introduction Users/Publications Screenshots JOELib Tutorial JOELib2 Tutorial JOELib API JOELib2 API Download Mailing lists License Acknowledgements Links JOELib@FM JOELib@SF PMD Online PMD Offline CVS Repository Research at WSI-RA Software...A Java based development tool for building portable chemical information systems.
http://www.jchem.com
Free Perl module for converting PDB files to VRML for 3D visualization.
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PDB2VRML PDB to VRML converter. L class allows the creation of objects which can read molecular structures stored in the PDB format. It actually reads ATOM, HETATM, and CONECT records. The object can create additional bonds based on a minimum distance criteria. The final goal...Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds.
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pdb2vrml PDB to VRML Converter Library C interface for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds. It is being developed under Unix(r) and Microsoft(r) Windows(r) 9x. It was created by Mr. Vieri Di Paola and will hopefully be maintained by...Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.
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Log In Frowns is a chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. It is written in almost 100% Python with a small portion written in C Frowns is loosely based on the PyDaylight API that Andrew Dalke wrote to...Open-source, object oriented cheminformatics framework written in Java.
http://octet.sourceforge.net
Free kit for processing XML+CML in chemistry. Java 1.4 code, XSLT stylesheets, legacy converters and tools. Also includes tools for generating C++, Python and some F90/5 from the schema.
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Jumbo4.6 World Wide Molecular Matrix Wiki It is a large distribution and contains: a full kit for building CML schemas tools to convert schemas to Java automatic documentation utilities tools for managing chemical information and properties legacy converters examples (data, apps) stylesheets thirdparty tools (e.g. Jmol)...A group of chemists/programmers/informaticians who advocate the use of open source, open standards, and open data. Site includes a wiki, an algorithm dictionary, and a data repository for elements, isotopes, and aminoacids.
http://wiki.cubic.uni-koeln.de/dokuwiki/