Difference between revisions of "Software tools for chemistry"
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==Free software== | ==Free software== | ||
===Avogadro=== | ===Avogadro=== | ||
| − | Avogadro is a molecular editor, designed for cross-platform use in computational chemistry. | + | [http://avogadro.cc/wiki/Main_Page Avogadro] is a molecular editor, designed for cross-platform use in computational chemistry. |
===CAMEO software suite=== | ===CAMEO software suite=== | ||
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ALOHA is useful for projecting the effects of chemical accidents, and allows the display of its effects in Google Earth. | ALOHA is useful for projecting the effects of chemical accidents, and allows the display of its effects in Google Earth. | ||
| + | |||
| + | You can download it [https://www.epa.gov/cameo/cameo-software here]. | ||
| + | |||
| + | ===Convert=== | ||
| + | Created by Joshua F. Madison (Josh Madison), this is a very easy and simple to use mathematical converter. It allows conversion of 22 units from mathematics, physics and chemistry. | ||
| + | |||
| + | It can be download for free [https://joshmadison.com/convert-for-windows/ here]. | ||
===Chemsketch=== | ===Chemsketch=== | ||
| − | Chemsketch is a software that allows the drawing of chemical structures, such as inorganic, organic, organometallic, polymers, etc. | + | [http://www.acdlabs.com/resources/freeware/chemsketch/ Chemsketch] is a software that allows the drawing of chemical structures, such as inorganic, organic, organometallic, polymers, etc. |
===Jmol=== | ===Jmol=== | ||
| − | Jmol is a free open-source Java viewer for chemical structures in 3D, and does not require 3D acceleration plugins. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g. in chemistry and biochemistry. It is compatible with Windows, Mac OS X, Linux and Unix systems. | + | [http://jmol.sourceforge.net/ Jmol] is a free open-source Java viewer for chemical structures in 3D, and does not require 3D acceleration plugins. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g. in chemistry and biochemistry. It is compatible with Windows, Mac OS X, Linux and Unix systems. |
===MarvinBeans=== | ===MarvinBeans=== | ||
Chemical structures. Requires registration to download, though BugMeNot has working accounts. | Chemical structures. Requires registration to download, though BugMeNot has working accounts. | ||
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| + | Download link: https://www.chemaxon.com/download/marvin-suite/ | ||
===Open Babel GUI=== | ===Open Babel GUI=== | ||
| − | Open Babel GUI is a program used to convert files using the Open Babel libraries. It can be gotten from the Open Babel website. | + | [https://openbabel.org/docs/dev/GUI/GUI.html Open Babel GUI] is a program used to convert files using the Open Babel libraries. It can be gotten from the Open Babel website. |
===XDrawChem=== | ===XDrawChem=== | ||
XDrawChem is a free software program used for drawing chemical structural formulas, available for Mac OS and Unix. In Windows this program is called '''WinDrawChem'''. | XDrawChem is a free software program used for drawing chemical structural formulas, available for Mac OS and Unix. In Windows this program is called '''WinDrawChem'''. | ||
| + | |||
| + | It can be downloaded from [http://xdrawchem.sourceforge.net/ here]. | ||
===Yenka=== | ===Yenka=== | ||
| − | Yenka is a suite of educational software products that allows students to simulate many scientific experiments, create mathematical models, physics experiments, design electronic circuits, inorganic chemical reactions, electrochemistry, etc. | + | [http://www.yenka.com/ Yenka] is a suite of educational software products that allows students to simulate many scientific experiments, create mathematical models, physics experiments, design electronic circuits, inorganic chemical reactions, electrochemistry, etc. |
==Proprietary software== | ==Proprietary software== | ||
Revision as of 19:04, 23 September 2016
There are many software that are helpful for the amateur chemist, some professional, others more accessible.
Contents
Software written by Sciencemadness users
SciOSA
SciOSA is a multipurpose scientific assistant program, with a built in scripting language, complex math functions, and more importantly, chemistry (and Astronomy) functions, most based on the Open Babel Library. It allows for the generation of 3D coordinates of a molecule from SMILES code, the calculation of Phenol centers from carbon coordinates, the calculation of centers of gravity of molecules, and science-based note-taking. Made by Peppertree Labs, which is headed by The Volatile Chemist. It can be obtained from Peppertree Lab's website: http://ptp.x10.mx/SciOSA.htm It is no longer updated, but assistance will be given for its application.
Free software
Avogadro
Avogadro is a molecular editor, designed for cross-platform use in computational chemistry.
CAMEO software suite
The CAMEO software suite is a system of software applications, used to project, plan for and respond to chemical emergencies, such as chemical spills, BLEVE, etc.
The CAMEO Chemicals can be used to search for datasheets for various chemicals.
ALOHA is useful for projecting the effects of chemical accidents, and allows the display of its effects in Google Earth.
You can download it here.
Convert
Created by Joshua F. Madison (Josh Madison), this is a very easy and simple to use mathematical converter. It allows conversion of 22 units from mathematics, physics and chemistry.
It can be download for free here.
Chemsketch
Chemsketch is a software that allows the drawing of chemical structures, such as inorganic, organic, organometallic, polymers, etc.
Jmol
Jmol is a free open-source Java viewer for chemical structures in 3D, and does not require 3D acceleration plugins. Jmol returns a 3D representation of a molecule that may be used as a teaching tool, or for research e.g. in chemistry and biochemistry. It is compatible with Windows, Mac OS X, Linux and Unix systems.
MarvinBeans
Chemical structures. Requires registration to download, though BugMeNot has working accounts.
Download link: https://www.chemaxon.com/download/marvin-suite/
Open Babel GUI
Open Babel GUI is a program used to convert files using the Open Babel libraries. It can be gotten from the Open Babel website.
XDrawChem
XDrawChem is a free software program used for drawing chemical structural formulas, available for Mac OS and Unix. In Windows this program is called WinDrawChem.
It can be downloaded from here.
Yenka
Yenka is a suite of educational software products that allows students to simulate many scientific experiments, create mathematical models, physics experiments, design electronic circuits, inorganic chemical reactions, electrochemistry, etc.
Proprietary software
ChemOffice
Chem3D Pro
Chem 3D Pro is a CambridgeSoft (now part of PerkinElmer) desktop modelling soft. It is part of the ChemOffice suite of programs. It allows drawing of chemical structures, 3D structure visualization, presents molecular properties, such as molecular mass, name.
ChemBio 3D
ChemBio 3D is a CambridgeSoft molecular editor, part of the ChemOffice suite of programs. Its capablities are similar to Chem3D Pro.
ChemDraw
Chemdraw is a molecular editor, useful for creating chemical structures, NMR spectrum simulation, etc.
SolidEdge
SolidEdge is a CAD solid modeling software, useful for creating 3D structures, such as objects, machines, chemical installations. It is capable of modelling the flow of various fluids through the said installation.
Libraries
Libraries are pieces of code, usually open-source, that allow for advanced functionality within a programming language. Chemistry related libraries usually assist with chemical analysis and plotting of molecules graphically.
Open Babel
Open Babel (Not the Open Babel GUI) is a highly sophisticated library allowing for spectrophore calculation for molecules, chiral center locating, modeling of molecules, fingerprinting of molecules and conversion of chemical data files. It is compatible with most mainstream languages. For assistance using it, contact The Volatile Chemist, or the programmer of Open Babel.
