Structure drawing packages

In a compound registration system, compound data can be imported from data files such as SD File, XML File, or Mobile. Alternatively, data can be entered from the presentation layer using a structure drawing package such as ISISDraw or ChemDraw. These data, once imported to the system, need to be bound to the domain objects in order for the system to process them efficiently. To support a variety of data sources, a Data Binder API is needed to decouple the system from specific format of input data and make it easily extensible to support other data input formats down the road. Figure 12.17 is the class diagram of the Data Binder API. 

Standardization in the Macintosh environment is such that the user of programs such as ChemDraw could easily adapt to other well-designed Macintosh structure drawing packages. The appearance of ChemDraw-like front-ends in the near future is a certainty. (There is already a Macintosh-based front-end to the CA Registry File, called ChemConnection, marketed by Softshell of Henrietta, New York, but not supported by CAS.)... 

ISIS/Draw is a chemically intelligent drawing package that enables the drawing of chemical structures using the same intuitive signs and symbols used for paper sketches. It is offered free for academic and personal home use only. 

Graphical Representation. Occasionally it is desirable to store chemical structures as "pictures", usually for document purposes. For example, some chemical drawing packages and many molecular modeling packages can store structures as the following ... 

It is usually not recommended to attempt drawing ionic structures of greater complexity without resorting to a specialized computer-based drawing package. 

Those who choose to search a private database such as one created with MDL s ISIS must learn a different set of search techniques. ISIS /Draw, the ISIS chemical drawing package, is a presentation package for polymer structures. ISIS/Draw allows scientists to draw polymer structures with ease and speed, and then to search and share them. Researchers also have the enhanced capability of accessing 2D and 3D databases, with a wide range of search options and a link to global data. ISIS/Draw includes full annotation capabilities, which enable researchers to label collections of atoms or bonds with related function or process information (6). 

Nuclear structure. Draw energy-level diagram(s) to illustrate the statement Electromagnetic radiation emitted by nuclei, atoms, or molecules in reverting to lower energy states is packaged in quanta. 

Many of the new implements suit the generalist, perhaps too much so. The finite element revolution is nearly but not quite complete. Three-dimensional computer drawing packages can now model a proposal, all its parts and material properties. Developed initially to check for clashes in space, systems have now moved on sufficiently to record the contact between things. At that point it becomes easy to transcribe the data as a structural idealisation, put it in a load environment and check its adequacy. Beautifully post-processed images confirm whether the thing is working. 

Easy installation and user-friendly interaction free help available from the STN help desks. Integration of structure drawing and telecommunications into one package. 

---