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Introduction
Artist is a tool for editing molecular structures and estimating thermo physical and transport properties from molecular structure directly. Artist contains a structure data bank (ChemDB) currently containing over 19000 components. The core algorithm of Artist is an automatic fragmentation which allows to implement a wide range of group contribution methods in a quick and reliable manner. A list of the properties and methods is appended to this document. The list of methods comprise mainly group contribution methods – because of the underlying fragmentation algorithm – but also some corresponding states methods (equation of states etc.). Artist can additionally be used as retrieval program for components. The Dortmund Data Bank uses a component number index and this number has to be found either by name, formula, CAS registry number and several other techniques. Artist adds the ability to determine the DDB number from the drawn structure.
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The Main User Interface
Menu
Menu Tool Bar Drawing Tool Bar
Fragment Management
Connection to DDB Calculations
Model Quality
Rotation Scaling
Artist is a typical example for a multi-document program contain multiple drawings in a parent window. All functions either in the menus, in the tool bars, or in the context menus are operating on the drawing in the topmost window.
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The Menus The File Menu
New: Open a new and empty drawing window Open: Opens a molecular structures file. The list of supported file formats is shown in the appendix. Close: Close current drawing window. If the structure has been modified the program asks if the drawing should be saved. Load Structure from ChemDB: Read a molecular structure from the structure data bank. Save Structure in ChemDB: Save a molecular structure in the the structure data bank. If the data bank already contains a structure a dialog will be displayed for either replacing a structure or adding the new structure.

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