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Unformatted text preview: on only!........................................ 51 4.2.1 4.2.2 4.3.1 4.3.2 4.4.1 4.4.2 4.5.1 4.5.2 4.5.3 4.5.4 SMILES Notations ............................................................................................. 38 InChI Notations.................................................................................................. 39 3D-Optimization................................................................................................. 41 4.6 Drawing, Labeling, and Mapping Reactions...................................................... 47 4.6.1 4.6.2 4.6.3 4.6.4 5. Advanced Drawing: Templates ............................................................... 53 5.1 5.2 5.3 5.4 5.5 Objectives.......................................................................................................... 53 Overview ........................................................................................................... 53 Table of Radicals............................................................................................... 54 Creating the Structure of Fluorescamine.............................................................. 54 Creating the Structure of a Cyclic Oligomer ......................................................... 56 5.3.1 5.4.1 Instant Template Tool........................................................................................ 56 Template Window.............................................................................................. 58 5.5.1 Creating the Fragment of a DNA .......................................................................... 58 5.5.1.1 Drawing the Chain of Deoxyriboso-5-phosphate Fragments.......................... 58 5.5.1.2 Adding the Bases ............................................................................................ 59 5.6 5.7 Drawing Complex Structures of Biomolecules .................................................. 60 Creating the Structure of Beta-Maltose ................................................................ 60 The Template Window Organizer......................................................................... 62 The Template.cfg File ........................................................................................... 63 5.6.1 5.7.1 5.7.2 Defining a User Template.................................................................................. 62 6. Calculating Macroscopic Properties ...................................................... 64 6.1 6.2 Overview ........................................................................................................... 64 Calculating Macroscopic Properties .................................................................. 64 Menu Command ................................................................................................... 64 6.2.1 ACD/ChemSketch Tutorial ii Table of Contents 6.2.2 Automatic Display on Status Bar .......................................................................... 65 6.3 Calculating Monoisotopic Mass for a Fragment (MassSpec Scissors) ............. 66 7. Special Function Keys............................................................................. 67 7.1 7.2 7.3 7.4 Objectives.......................................................................................................... 67 Tautomers ......................................................................................................... 67 Examples .............................................................................................................. 68 Mistakes in the Chemical Literature ..................................................................... 69 7.2.1 7.2.2 Dictionary—Commercial version only! .............................................................. 71 ACD/Name Freeware Add-on ........................................................................... 71 Limitations of ACD/Name Freeware ..................................................................... 72 7.4.1 8. Searching for Structures—Commercial version only!.......................... 73 8.1 8.2 Objectives.......................................................................................................... 73 Searching for Structure ..................................................................................... 73 Which Files to Search Through? .......................................................................... 73 Considering Search Results ................................................................................. 76 8.2.1 8.2.2 9. Creating Graphical Objects ..................................................................... 78 9.1 9.2 Objectives.......................................................................................................... 78 Drawing the Energy of Reaction Diagram ......................................................... 78 Drawing a Curve ..............................................................................
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This note was uploaded on 06/22/2010 for the course AS 1 taught by Professor Chem during the Spring '10 term at University of Alaska Southeast.

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