Chemical Structures

The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader. Platforms: Windows, Mac, Linux

Nomen project is a tool which creates chemical structures from valid IUPAC names. It outputs a 2D view and (optionally) a CML file.. Platforms: *nix

AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building. Platforms: Windows, Mac, Linux

MCDL is a small Java molecular viewer/editor for chemical structures, stored in Modular Chemical Descriptor Language linear notation. Features include accurate structure diagram generation, and Kekule chemical structure creation from aromatic bond list. Platforms: Windows, Mac, Linux

NMRShiftDB is an open-source, open-access, open-submission, open-content web database for chemical structures and their nuclear magnetic resonance data. Platforms: Windows, Mac, Linux

OpenOffice.org extension for creation and editing of chemical structures embedded into OOo documents Platforms: Windows, Mac, Linux

a program which enables you to create impressive simulations of complex systems in an easy way. Complex systems appear throughout all parts of our life. You can see them in form of living organisms, social groups, companies, physical processes or chemical structures. Cafun assists students and... Platforms: Mac

Few days ago the new version of leeenux was released. Despite the fact I was really happy with the old version (2.0), I have decided to spend part of the belgian rainy easter testing the new version on my 701. With respect version 2.0, the main differences are: New kernel, new UNR menu,... Platforms: *nix

Chemical Equation Expert is an integrated tool for chemistry professionals and students. You'll find complicated work such as balancing chemical equations and related calculations so easy and even enjoyable! Key Feafures - 1. An intelligent balancer Chemical Equation Expert balances chemical... Platforms: Windows

Erwin Data Structures is a library that is meant to be the ultimate data structure library for mixed usage of C and C++. Arbitrary key and value types are implemented by template files that dont use C++ templates, but are instantiated by a Perl script. This way, mixed usage in C and C++ is... Platforms: *nix

Memory Structures Library (MemSL) is a complete data structures/collection classes library with memory tracing, memory debugging, entry/exit tracing, exception handling, definable memory handlers, built-in thread support, and much more. The project supports single, double, and circular linked... Platforms: *nix

Image::MetaData::JPEG::Structures is a Perl module that describes the structure of a JPEG file; it is an appendix to the main manual page of the Image::MetaData::JPEG module, which the reader should refer to for further details and the general scope. THE STRUCTURE OF JPEG PICTURES The JPEG... Platforms: *nix

Xephyrus Data Structures Tag Library provides an easy way to create and manipulate the contents of common Java data-structures such as maps and lists. Whats New in This Release: - The library was polished up. - Several improvements were made and a few bugs were fixed. - This version is... Platforms: *nix

In the program, an example from the field of nonlinear chemical dynamics is presented. Governing equation and reaction scheme can be found in G. Nicolis, Dynamique Chimique, Thermodynamique, cindoTetique et mdoTecanique statistique, Dunod, Paris 2005. We use the arc length continuation method to... Platforms: Matlab

gOpenMol is a tool for the visualization and analysis of molecular structures and their chemical properties. The program uses Tcl/Tk scripting engine and can thus be easily extended without modifying the kernel code. gOpenMol can also be extended by writing extensions using sharable objects... Platforms: *nix

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs.... Platforms: Windows

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures.... Platforms: Windows

The development and curation of a range of XML-based tools for using Chemical Markup Language (CML), including XSD XML Schemas for validation, datatyping and constraining CML documents and XSLT Stylesheets for transforming, filtering and rendering. Platforms: Windows, Mac, Linux

A Fortran 95 implementation of an algorithm for generating derivative structures of a parent lattice. The algorithm is discussed in detail in: Gus L. W. Hart and Rodney Forcade, 'A new approach to generating derivative structures,' Phys. Rev B. (20 Platforms: Mac, BSD, Linux

This solver computes the internal loads on each member of two dimensional isostatic truss structures by using the method of joints.Since the Theory of Deformations is not considered in this program, displacements of the structures are not computed. All assumptions of Rational Mechanics are made... Platforms: Matlab