MOPAC2016™ 量子化學軟體-資安軟體/研究分析軟體/心理學軟體/新永資訊有限公司

MOPAC2016™ 量子化學軟體

MOPAC2016™ 量子化學軟體
編號
類別

生化統計分析軟體
介紹

MOPAC2016™ is the successor to MOPAC2012™ and has improved methods for modeling large biomolecules. MOPAC2016™ 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®, Linux, and Macintosh platforms.
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MOPAC2009

MOPAC2009 量子化學軟體

MOPAC2009™ is the successor to a MOPAC2007™, 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^®, Linux and Macintosh platforms.
MOPAC2009™ is a completely updated and rewritten version based on the public domain MOPAC^® 6 with many bug fixes and several major enhancements added, including the new PM6 method which was parameterized primarily for biochemistry. MOPAC2009™ now includes a linear scaling algorithm for geometry optimizations on systems of up to 15,000 atoms such as proteins, metalloenzymes, and segments of DNA.
Technical:
• NEW, optimize giant molecules up to 15,000 atoms, e.g. proteins
• NEW PM6 parameterization using experimental and ab initio data
• More accurate* heats of formation and geometries
• ALL main group elements & transition metals parameterized
• Serious errors from PM3 and AM1 corrected
• Crystals, surfaces & polymers with periodic boundaries
• FREE to academics

MOPAC2016™ 量子化學軟體

MOPAC2016™ is the successor to MOPAC2012™ and has improved methods for modeling large biomolecules. MOPAC2016™ 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®, Linux, and Macintosh platforms.

Improved handling of large biomolecules. This includes the ability to more easily manipulate macromolecules, e.g., to ionize and de-ionize individual atoms and residues, superimposition and calculation of RMSD for pairs of systems, and easier specification of individual atoms.

Technical:
• Major improvements for crystals & condensed phase
• Fast optimizations up to 15,000 atoms, e.g. proteins
• New PM7 parameterization from experimental & ab initio
• More accurate H-bond and dispersion energies
• All main group elements & transition metals (83)
• FREE to academics

QuantiScan 3 光密度分析軟體

QuantiScan for Windows has similar functionality to sophisticated densitometers but at a fraction of the cost. It is able to analyze a wide variety of material including polyacrylamide and agarose gels, autoradiograms, TLC plates, etc. The program will accept images for analysis directly from any TWAIN compliant scanner as well as most BMP, JPG or uncompressed TIF files. For laned gels of reasonable quality, the analysis is highly automated, allowing extremely high throughput of data. Almost any type of image can be analyzed with the manual modes of Quantiscan. Images can be pre-processed in a

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CrystalMaker X 化學分子建構軟體

便捷、靈活CrystalMaker能夠容易的載入結構數據並產生壯觀的，相片型的圖形，戴上3D立體眼鏡，還可以感受立體3D畫面，親臨分子結構當中。模型能夠廣泛的設置，顯示個別原子，鍵和多個側面。全面的互動CrystalMaker包括實時操作和編輯、設計新結構的能力，99個undo標準加上多重的、用戶定義的觀點，鼓勵深入的探測和研究，是理想的科研和教學方式

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Molpro 2019 量子化學計算軟體

MOLPRO的重點是高精度計算，通過多參考CI，耦合簇和有關的方法，廣泛處理電子相關問題。使用最近開發的直接積分局域電子方法，可以極大地減少隨分子尺寸增加的計算量，能夠對更大的分子體系進行準確的從頭計算

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