Nist Chemistry Webbook

Atomic Time Synchronizer is a useful and handy utility to keep your PC clock accurate. It periodically checks and synchronizes your computer clock with NIST atomic time servers, or synchronizes time between computers. Platforms: Windows

TimeSync gets the current time from a NIST server, and adjusts the PC clock if necessary. Accuracy is usually within a second. Time and date are displayed according to the user's regional settings. TimeSync will try alternative servers, in case the time cannot be obtained from the preferred... Platforms: Windows

ClockWatch Pro keeps your computer's clock within +/- one second of Coordinated Universal Time (UTC) by regularly comparing it to the atomic clock, the world's most accurate clock, at the National Institute of Standards and Technology (NIST). ClockWatch Pro sets your computer to the Atomic Clock... Platforms: Windows

We here present a novel computer algorithm, called AutoClickChem, capable of performing many click-chemistry reactions in silico. In silico modeling of click-chemistry products may prove useful in rational drug design and drug optimization. Platforms: Windows, Mac, Linux

This is a LaTeX package to realise ball and spoke (ball and stick) models used in Chemistry, Physics or other Material Sciences using PGF/TikZ Platforms: Windows, Mac, BSD, Linux

ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a 'Command Line Interface' to which it parses important output and plots SCF energies. Avogadro plugin capability is planned. Platforms: Windows, Mac, Linux

Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR). Platforms: Windows, Mac, Linux

FishLAB is an easy-to-use program for tracking aquarium water chemistry. With FishLab you can monitor pH, hardness, NH4, NO2, NO3, Fe, CO2 (the software converts units where needed). The graph function warns you of bad trends in water quality. Platforms: Windows, Mac, Linux

GDIS is a scientific visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures. It is in development, but is nonetheless quite functional. It has the following features: * Support for many common file formats (CIF, PDB, XTL, XYZ, and many... Platforms: *nix, C/C++, BSD

JBioFramework (JBF) is a set of simulations of three different chemical separations applications (ion exchange chromatography, 1D electrophoresis and 2D electrophoresis) that are frequently used in chemistry, biochemistry and proteomics research. Platforms: Windows, Mac, Linux

Java library for chemistry and crystallography information. Platforms: Windows, Mac, Linux

JPhysChem - a mathematical modeling toolbox designed to provide an abstract layer and a comprehensive graphical front-end for general model building and specific modeling and data processing in the field of mass spectrometry and physical chemistry. Platforms: Windows, Mac, Linux

An electronic Periodic Table of the Elements in German language (but translations may follow) made espiacially for pupils in the first years of learning chemistry. Platforms: Windows, Mac, Linux

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use... Platforms: Windows, Mac, *nix, C/C++, BSD

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

PerlMol is a collection of 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'. Platforms: Windows, Mac, Linux

PyMOlyze is a graphical program to analyze the results of quantum chemistry (HF/DFT) calculations. Features include various population analyses, fragment analysis, monitoring structures during an optimization, and a simple, but powerful, XYZ editor. Platforms: Windows, Mac, Linux

Role Manager is a security management framework based on the NIST model for Role Based Access Control (RBAC) and the Java[TM] 2 Platform security standards. The access control policies and the RBAC Model are implemented using the RBAC profile of XACML. Platforms: Windows, Mac, Linux

The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes. Platforms: Windows, Mac, Linux

Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results. Platforms: Mac, BSD, Linux