API for the CML classes
This package, supports the Chemical Markup Language DTD and holds
CML document instances in object form.
Every ELEMENT in the CML DTD has an associated class, thus MOL is
catered for by the MOLNode.java class, and XLIST by XLISTNode.java.
TecML ELEMENTs as nodes in a tree
CML ELEMENTs as nodes in a tree
- ATOMSNode
Container for ARRAYs of atomic properties.
- BIBNode
Container for bibliographic information (e.g. citations)
- BONDSNode
Container for ARRAYs of bond properties.
- CMLNode
Toplevel node for a CML document
- CRYSTNode
Crystallographics information (especially unit cell)
- FEATURENode
Macromolecular features (i.e. annotations of sequence and structure).
- FORMULANode
Molecular formula, connection table or otherwise
- MOLNode
A molecule.
- SEQUENCENode
A macromolecular sequence.
- SYMMETRYNode
Molecular (not crystallographic) symmetry
You should read these in conjunction with the
documentation for CML and TecML.
Here are the javadoc entries to the classes:
There are additional classes for filetypes, exceptions etc.
Good luck!
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©
Peter Murray-Rust, 1996, 1997