Open Source Chemistry Software
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Chemistry Software
View 108 business solutionsBrowse free open source Chemistry software and projects below. Use the toggles on the left to filter open source Chemistry software by OS, license, language, programming language, and project status.
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Attn: the latest version of PeptideProphet must be obtained as part of the Trans-Proteomic Pipeline package at http://sourceforge.net/projects/sashimi/.
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nmr-nessy
NMR relaxation dispersion spectroscopy analysis software
NESSY is an open source software to analyse NMR relaxation dispersion data of either CPMG or R1p (R1rho) dispersion experiments. The graphical interface enables simple management of large experimental data sets and simple and automated analysis. NESSY automatically calculates effective transverse relaxation rate (R2eff) and performs model selection between different relaxation dispersion models. -
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Project is closed, since useful alternatives exist. See http://toeholds.wordpress.com/2010/03/23/writing-chemistry-with-latex-33/ for an example. With write18 and openbabel, you probably can do whatever you want.
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GenChemLab is an OpenGL-based application intended to simulate several common general chemistry laboratory exercises.
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SpOK - The Spectrum Organisation Kit, a program for the organisation and visualisation of spectral data written in Java. Sorry - this project is not being continued. All functionality was integrated into the Bioclipse project...
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EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.
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gorbital is a atomic orbital viewer written using gtkmm (gtk--). gorbital displays a 3d interactive view of a electron orbitals. It is meant to be an open source viewer much like Orbital Viewer by David Manthey (http://www.orbitals.com/orb/).
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pyPulsar is a program for simulation and fitting of solid-state NMR spectra. It provides scripting facilities using Python. (This project was not developed for a long time: It will be soon moved in a new project currently developed)
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