C.BO
C.BO contains an arbitrary number of arrays (C.ARR) for carrying
bond information:
- SERIDSerial number of the bond. (Not used at present.)
- ATID1SERID of the first atom in the bond. The direction of
the bond is irrelevant and the two atoms can therefore be in any order.
- ATID2SERID of the second atom in the bond. See above. Note
that ATID1 and ATID2 must be present for any bond (not checkable by
SGML parser.).
- ORDEROrder of the bond (convention ywt to be agreed).
- CYCLICThe cyclicity of the bond. +1 (acyclic), -1 (cyclic)
and 0 (unknown, not cyclic, etc).
- PARITYParity of the bond ('cis' or 'trans'). Convention
(+1, 0, -1) yet to be worked out.
Content
- x.arr -- A very flexible matrix/array/geometry container.
- x.html -- A hypertext container for use in XML and CML.
ATTRIBUTES
CONTENT DECLARATION
- Tag Minimization
-
Open Tag: REQUIRED
Close Tag: REQUIRED
Parent Elements
- c.mol -- Toplevel container for molecular information.
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cml DTD