C.FORM

Chemical formula. The primary purpose of this is to say what the molecule is, not to represent ideas about it. No present method covers all molecules, and for many we have only partial info (e.g. stoichiometry). C.FORM allows for one connexion table in the content - but more than one C.FORM is allowed within C.MOl to cover multiple components (especially in crystallographic files).

C.FORM contains an optional hypertext description, an optional mapping onto 3-D coordinates (C.MMAP) and optional X.LIST, X.ARR and X.VAR. The primary use for these latter are connexion tables. The connexion tables can be textual (e.g. SMILES) or the components of an atom-bond based table, following the same convention as in C.AT and C.BO. In C.FORM both atom and bond arrays can be used, which will normally be of different sizes. X.VAR can also be used for reference numbers, etc (MEDLINE, SWISSPROT, Cambridge, etc)


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