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Object-oriented programming molecular structures

LCR uses a graph theoretic representation of molecular structures, wherein nodes are atoms and edges are bonds. Three modeling elements are employed to create and describe chemical structures. Each modeling element has been implemented as a class, in an object-oriented programming environment, and is described by a set of attributes and a set of procedures. [Pg.14]

Circular Dichroism Electronic Computer Graphics and Molecular Modeling Electronic Laboratory Notebooks Electronic Publishing of Scientific Manuscripts Factual Information Databases Internet Molecular Models Visualization Object-oriented Programming Online Databases in Chemistry Standard Exchange Formats for Spectral Data Structural Similarity Measures for Database Searching. [Pg.1437]

Data Correlation with Chemical Structure NMR Refinement Nucleic Acid Conformation and Flexibility Modeling Using Molecular Mechanics Nucleic Acid Force Fields Nucleic Acids Qualitative Modeling Object-oriented Programming. [Pg.2167]


See other pages where Object-oriented programming molecular structures is mentioned: [Pg.861]    [Pg.219]    [Pg.67]    [Pg.24]    [Pg.46]    [Pg.738]   
See also in sourсe #XX -- [ Pg.3 , Pg.1952 ]




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Molecular objects

Molecular orientation

Molecular orientation structure

Molecular programming

Molecular programs

Molecular structure programs

Molecular structure programs structures

Object orientated

Object-oriented

Orientational structure

Oriented structure

Program objectives

Programming object-oriented

Structure orientation

Structured programming

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