C.MOL

The content model of a C.MOL (molecule) allows for considerable flexibility in storage.

Among the molecular properties and data it can handle are (in order):

Although many of these could also be held in an XML file without MOL.DTD, the containment within a molecule is very well suited to molecular databases (e.g. crystallography) where all data is "attached" to a molecule.

NOTE: The use of the term 'molecule' is not meant to imply anything about the bonding model or physical nature of the thing in question. C.MOL can be used to hold data on extended solids (such as NaCl) or van der Waals complexes. The bonding model is kept simple to emphasise that for many molecules there need to be additional semantics to specify it adequately. The simple model may be refined over time.

The primary use of C.MOL is to provide at least one way of accurately conveying the precise nature and identity of the substance. This may not always be the best or most efficient.

The present limitations of C.MOL are:


Content


ATTRIBUTES
CONTENT DECLARATION

Tag Minimization
Open Tag: REQUIRED
Close Tag: REQUIRED

Parent Elements


Top Elements
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Tree


cml DTD