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The MetCal/SPA package provides diagnostic resources for users and developers of meteorological apps. The Shared Procedure Archive is a dynamic set of file I/O, analysis routines and APIs for third party packages accessible through the MetCal GUI.
'isotope' is a small command-line utility to calculate the isotope pattern for a given chemical formula. It allows to run calculations interactively, in batch mode, via the command line, or (using a webserver) via a web interface.
The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows.
The Blue Obelisk Data Repository lists many important chemoinformatics data such as element and isotope properties, atomic radii, etc. including references to original literature. Developers can use this repository to make their software interoperable.
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PDFgetN is a program to process total scattering data obtained on neutron time-of-flight powder diffractometers and to obtain the atomic pair distribution function (PDF).
The Software for Controlling Testing Equipment - has been designed to automate data acquisition and equipment control. Written in Perl, uses the SCPI language to communicate with instruments via RS-232 (serial) or USB ports.
Quaternions are numbers with 4 parts: one for time, three for space.This project creates command line functions that generate thousands of points of quaternions, for the animation software. Think: analytical animation! See VisualPhysics.org examples.
IFEFFIT is a library and set of interactive programs for the analysis of x-ray
absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art
analysis algorithms with graphical display of XAFS data, and general data
manipulation. It can be
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Thermocouple Scripts. Thermocouples generate a voltage at a given temperature. The relationship isn't simple. There are published tables, but the format can be awkward. This project supplies tools to find, parse, plot, and curve-fit thermocouple data.
free2bind a suite of general purpose bioinformatics tools for computing the minimum free energy (the most stable) binding between two separate RNA molecules.
A set of PERL scripts that form the basis for a (flexible) lab experiment controlling system. GPIB and RS232 device controlling are planned to be part of the base system and not part of the experiment programming. Research life should be easier this way.
CHIMP aims to provide a complete suite of tools for the investigation and modeling of chemical systems. It currently is able to parse chemical reaction mechanisms and run kinetic Monte Carlo simulations on the reacting system.
bubble_wrap is a suite of programs written in PERL. It takes sensor data from conductive needle probes, impedance probes, or optical fiber probes and produces bubble velocity and local gas hold-up measurements. These probes are typically used to charact
toolbox with information and programs for Computer Aided Innovation
The scientific background of Skidbladnir is known as the Theory of Inventive Problem Solving; in English abbreviated as TIPS or TRIZ, in German as TRIS.