HyperChem Data
HyperChem Data ist eine neue Chemie- Datenbank, die selbständig oder in Zusammenarbeit mit HyperChem Version 6.0 verwendet werden kann. Ca. 10 000 Molekülstrukturen werden in der Datenbank mitgeliefert. Neue Strukturformeln mit den zugehörigen Daten lassen sich leicht erstellen. Grafik-Ausgabe im *.hdf, *.hin, *.bmp oder als hochauflösendes *.wmf- File. Copy and Paste.

HyperChem Data is a standalone database package or for use with HyperChem 6.0. It allows you to easily create, save and print molecular images and chemical properties, and it allows you to efficiently query large databases for molecular information.

HyperChem Data 3.0 comes with a database of over 10,000 molecules, with IUPAC names, synonyms, formulae, and molecular weights and structure, predrawn and immediately accessible for use in the program and in HyperChem Professional.

HyperChem Data includes three main functions:

• HyperChem Data provides drawing tools that can be used to create any molecular system in the HyperChem Data workspace. Molecules can be saved in a variety of formats.
• HyperChem Data has full database functionality. It can be used to store molecular systems and properties. Users can display any molecule and its properties or search a database to retrieve a set of molecules that satisfy search conditions.
• HyperChem Data can invoke HyperChem and request it to calculate molecular properties for a query set of molecules.

HyperChem Data databases are saved in the Microsoft Access® 97 Database format (*.mdb). An *.mdb file may contain multiple tables, and each table can have many defined fields. You can define your fields, such as molecular name, molecular property, weight, etc., according to your particular requirements.

Additionally, you may include HyperChem state variables in the database, and they can then be automatically imported into HyperChem Data by running a HyperChem script. HyperChem Data Can Work in Conjunction With HyperChem Professional


HyperChem Data can be used in one of two ways:

• As a stand-alone program.

If you do not have a copy of HyperChem installed on your computer, you can still use HyperChem Data in stand-alone mode. In stand-alone mode, HyperChem Data can perform all functions apart from those that invoke HyperChem to compute molecular properties.

• In conjunction with HyperChem.

If you have a copy of HyperChem 6.0 installed on your computer, you will have the ability to compute molecular properties over a set of molecules from the database. As an example, you can import molecular structures from the database to HyperChem, run scripts within HyperChem that optimize the molecular structure, and then import the optimized structure and the calculated molecular properties of that structure back into HyperChem Data.

HyperChem Data Feature Summary

• Draw publishing quality sketches of molecules
• Create or modify existing databases of Molecular Structures and Data
• Create your own specialized database to meet your own set of requirements
• Automatically store and retrieve computational results from HyperChem
• Database search based on 2D or 3D substructures
• Search databases based on HyperChem calculated properties or substructures
• Dynamically start HyperChem when running scripts or exporting HIN files
• Uses Microsoft Access databases

Drawing tools include:

• Single, Double, and Triple Bonds defining base structure
• Prebuilt molecular rings
• Labels added to vertices to define hetero atoms