MarvinSketch by ChemAxon
MarvinSketch is an advanced chemical editor for drawing chemical structures, queries and reactions from ChemAxon. It has a rich (and growing) list of editing features, is chemically aware and is able to call ChemAxon's structure based calculation plugins for structures on the canvas.
Price: FREE (evaluattion version)
an advanced chemical editor for drawing chemical structures
Price: FREE (evaluattion version)
MMEngine by OpenBabel
A simple tool based on OpenBabel for optimizing 3D structures using a molecular mechanics force field.
Price: FREE
A simple tool based on OpenBabel for optimizing 3D structures
Price: FREE
MolDesign by Astonis
An advanced 3D molecular structure editor
Price: FREE
An advanced 3D molecular structure editor
Price: FREE
MolLib by Astonis
Libraries of 3D structures of commonly known molecules and interfaces to public databases such as the Nantional Cancel Institute small molecule database as well as tools for creating complex molecules such as nanotubes.
Price: FREE
Libraries of 3D structures of commonly know molecules and interface to public databases
Price: FREE
PsiViewer by Astonis
Visualization tool for analyzing quantum chemistry results
Price: FREE
Visualization tool for analyzing quantum chemistry results
Price: FREE
MopacGUI Cloud by Astonis
Graphic user interface for MOPAC2009 using cloud computing resources. Excellent choice for computational chemists who don't have local computing resources or want to try MOPAC2009.
Price: 10 USD/cpu hour
Graphic user interface for MOPAC2009 using cloud computing resources.
Price: 10 USD/cpu hour
MopacGUI Pro by Astonis
GUI for MOPAC2009 for running MOPAC on the user local and remote computing resources.
Price: 300 USD/yr . MOPAC2009 executable must be purchased separately.
GUI for MOPAC2009 for running MOPAC on the user local and remote computing resources.
Price: 300 USD/yr
BasicQChem by Astonis
Introduction to quantum chemistry calculations. Execellent for undergraduate chemistry students.
Price: 10 USD/cpu hour.
Introduction to quantum chemistry to undergraduate chemistry students.
Price: 10 USD/cpu hour
BasicQChem Edu by Astonis
Introduction to quantum chemistry to general chemistry courses and HS. level.
Price: FREE
Introduction to quantum chemistry to all.
Price: FREE
Mopac2009 TM
- Description:
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MOPAC2009TM is a semiempirical quantum chemistry software package for the prediction of chemical properties and modeling of chemical reactions. It is used by chemists and biochemists for both research and teaching, and runs on Windows® and Linux platforms. MOPAC® is a registered trademark of Stewart Computational Chemistry (SCC).
- Features:
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- Optimize giant molecules up to 15,000 atoms, e.g. proteins
- More accurate* heats of formation and geometries Buy Now
- ALL main group elements & transition metals parameterized
- PM6 parameterization using experimental and ab initio data
- Serious errors from PM3 and AM1 corrected
- Crystals , surfaces & polymers with periodic boundaries
- FREE to academics
- Price: MOPAC2009 can be purchased in Avisto
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MOPAC2009TM (Windows, Linux, Mac) Academic* Government Commercial 1 permanent license (1 node) Free $2,500 $5,000 1-year Support** & updates (1 node) $1,000 $1,000 $1,000 5 permanent licenses (5 nodes) - $5,000 $10,000 1-year Support** & updates (5 nodes) - $2,000 $2,000 Annual site-license & support - $5,000 $10,000 Source code site-license $5,000 $10,000 $20,000 - * The free Academic license is only for non-profit, non-proprietary use, and needs to be renewed annually.
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** Annual Support includes prompt responses to email questions, usually within two working days, and software version updates (including MOPAC2009TM) when available. Current MOPAC2007TM and MOPAC2009TM customers without a Support contract, may upgrade to the latest version for 50% of the current list price. The first year of annual is included free with product purchase.
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Multi-core single-chip processors (e.g. dual core and quad-core) are considered as 1 node for MOPAC licensing purposes.
