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

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AssayZap 3.0 實驗分析計算軟體

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MedCalc 是一套專門為醫學工作者設計的醫學計算軟體,它可以幫助醫生快速作出醫學計算，從而對症下藥。提供超過許多常用的規則和方法，

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