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纪中化学人

广东省中山纪念中学 | 化学让世界辉煌

 
 
 

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软件:有机化学作图软件ACD ChemSketch 12.0  

2011-07-13 22:22:05|  分类: 电脑应用 |  标签: |举报 |字号 订阅

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chemsketch

ACDFREE 是高级化学发展有限公司(ACD)开发的 ACD/Labs 系列软件中的免费软件。它包含ACD/ChemSketch、ACD/ 3D Viewer、ACD/CHNMR Viewer和ACD/ChemBasic四个模块。ACD/ChemSketch:用于化学画图。该软件可用于画化学结构、反应和图形。也可用于设计与化学相关的报告和演讲材料。 ACD/ChemSketch 有如下主要功能: 结构模式:用于画化学结构和计算它们的性质。画图模式:用于文本和图象处理。分子性质模式:对以下性质进行估算: *分子量 *百分组成 *摩尔折射率, *摩尔体积 *等张比容 *折射率 *表面张力 *密度 *介电常数 *极性 *单一同位素质量, 标称分子量和平均分子质量。ACD/ 3D Viewer:用于分子立体模型创建,演示。可以创建线状、棍状、球棍状、碟状分子模型图,并自动旋转。ACD/CHNMR Viewer:用于查看核磁共振谱图。ACD/ChemBasic:用于化学编程。

ACD/ChemSketch

Full List of Features

Drawing

  • Click and drag between two atoms to quickly create bonds
  • Create chemical structures from InChI and SMILES codes
  • Draw Markush structures (generic view), structures with delocalization, and polymers
  • Create special Markush structures with added or removed mass or fragments, to describe metabolic and mass-spectral transformations
  • Depict reactions by drawing, importing, mapping atom-atom transformation, and editing reaction conditions
  • Adjust the position of Hydrogens near each atom
  • Apply powerful 3D and 2D rotation, and move/resize features
  • Create 3D models from 2D structures with the geometry optimization button

Structure Searching

  • Search for chemical structures in various file formats throughout your computer's file systems. (SK2; MOL; SDF; SKC; CHM; CDX; RXN; Adobe PDF; Microsoft Office DOC, XLS, PPT; and ACD/Labs databases CUD, HUD, CFD, NDB, ND5, INT)
  • Search Microsoft Word documents with structures created in ChemDraw or Symyx (MDL) ISIS
  • Search using full or partial structures

Chemistry

  • Choose from a wide range of special bond types including aromatic, delocalized, undefined single and double stereo, quadruple, and coordination bonds
  • Automatically assign hydrogen atoms and charges to fill valence
  • Instantly display chemical formula, molecular weight, percentage composition, and estimated macroscopic properties such as molar refractivity, refractive index, molar volume, density, and parachor
  • Look up elements on the Expanded Periodic Table of Elements which includes physical properties, NMR properties, isotope composition, and images of elements in their natural form
  • Draw reactions and complex chemical schemes with manual or automatic mapping
  • Calculate quantities for chemical reactions and solutions
  • View all the suggested tautomeric forms for your structure

Reporting

  • Create professional chemistry-related reports and presentations
  • Export your ChemSketch files to Adobe Acrobat PDF format
  • Cut- and-paste structures and chemical information directly into Windows applications and maintain OLE links
  • Convert your work into HTML
  • Create templates for generating reports from other ACD/Labs products, defined by rules or company standards

Convenient Interface Design

  • Customize toolbars
  • Customize display properties such as atom numbering, chemical symbols, and valence
  • Send ChemSketch SK2 files or PDF documents as an e-mail attachment directly from the ACD/ChemSketch interface
  • Work with structures, text, and graphics simultaneously
  • Save and load object styles

 

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