Atom Definition Rules - Revision history

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2012-10-08T18:10:26Z

3 revisions

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Revision as of 18:10, 8 October 2012

JohnIrwin at 21:34, 20 September 2007

2007-09-20T21:34:15Z

← Older revision		Revision as of 21:34, 20 September 2007
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	* If more than one adjacent atom is specified, then ALL must be present (i.e. a boolean AND for rules within a line).		* If more than one adjacent atom is specified, then ALL must be present (i.e. a boolean AND for rules within a line).
	* If a label can have multiple definition lines, then any ONE of them must be satisfied for inclusion (i.e. a boolean OR for rules on different lines).		* If a label can have multiple definition lines, then any ONE of them must be satisfied for inclusion (i.e. a boolean OR for rules on different lines).


			[[Category:Formats]]
			[[Category:DOCK]]

Frodo at 21:50, 22 September 2006

2006-09-22T21:50:04Z

← Older revision		Revision as of 21:50, 22 September 2006
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			[[Image:Adf.gif\|right\|400px\|]] The definition files use a consistent atom labeling convention for which an atom in virtually any chemical environment can be identified. The specification of adjacent atoms is nested using the elements listed below:
			* Each element must be separated by a space.
	The definition files use a consistent atom labeling convention for which an atom in virtually any chemical environment can be identified. The specification of adjacent atoms is nested using the elements listed below:		* If more than one adjacent atom is specified, then ALL must be present (i.e. a boolean AND for rules within a line).
			* If a label can have multiple definition lines, then any ONE of them must be satisfied for inclusion (i.e. a boolean OR for rules on different lines).
	* Each element must be separated by a space.
	* If more than one adjacent atom is specified, then ALL must be present (i.e. a boolean AND for rules within a line).
	* If a label can have multiple definition lines, then any ONE of them must be satisfied for inclusion (i.e. a boolean OR for rules on different lines).


	~~(atom definition elements table)~~

	~~(example definitions table)~~

JohnIrwin at 22:57, 19 September 2006

2006-09-19T22:57:19Z

New page

The definition files use a consistent atom labeling convention for which an atom in virtually any chemical environment can be identified. The specification of adjacent atoms is nested using the elements listed below:

* Each element must be separated by a space.
* If more than one adjacent atom is specified, then ALL must be present (i.e. a boolean AND for rules within a line).
* If a label can have multiple definition lines, then any ONE of them must be satisfied for inclusion (i.e. a boolean OR for rules on different lines).

(atom definition elements table)

(example definitions table)