Open Babel is a chemical toolbox for converting, searching, analysing and manipulating molecular data across a wide range of chemistry formats.
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Tag: chemistry
Gabedit – GUI to computational chemistry packages
Gabedit is a graphical user interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC, PCGamess and Q-Chem computational chemistry packages.
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Jmol – viewer for chemical structures in 3D
Jmol is a Java viewer for three-dimensional chemical structures with features for chemicals, crystals, materials and biomolecules.
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Kalzium – periodic system of the elements
Kalzium is a chemistry application for KDE 5, including a Periodic Table of Elements, chemical reference, chemical equation solver, and more.
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XDrawChem – molecule structure drawing
XDrawChem is a 2D editor for chemical structures and reactions. It mirrors the abilities of the commercial ChemDraw suite.
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MoleQueue – abstract, manage, and coordinate the execution of tasks
MoleQueue is a C++ desktop application for abstracting, managing, and coordinating the execution of tasks.
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BKChem – chemical drawing program
BKChem is a free and open source 2D molecule editor written in Python. It has a wealth of features but is simple to use.
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Best Free and Open Source Software – Science
Best Free and Open Source Linux Software covering physics, chemistry, biology, mathematics, data analysis, statistics, astronomy, weather, and more.
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42 of the Best Free Linux Scientific Software
To provide an insight into the quality of software that is available, we have compiled a list of 42 high quality Linux scientific applications, covering a broad spectrum of uses. There’s a mix of graphical and console based applications included. Hopefully, there will be something of interest for all types of users.
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