Volume 2 Chapter 2 2D-Constrain Sub-menu SAME-RESIDUE

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SIMIL

Function

SIMIL is used to declare that the formulation of the query structure for a similarity search is complete.

Remarks

SIMIL is the similarity counterpart of DEFINE-STRUCTURE for normal searches.

The maximum number of hits allowed for a similarity search is 500, ie. the 500 entries most similar to the query structure are selected.

A full discussion of similarity searching is to be found in chapter 6 of Vol.1.

Examples

Ex.1 Suppose you have constructed a query structure for similarity searching and set a STOP-LIMIT of 80 hits.

In the above example, if DICE was selected then the second line of the instruction document would be:

SIMILAR  DICE
 

Ex.2 Suppose you have constructed a query structure for similarity searching and not specified a STOP-LIMIT.

This means that the default STOP-LIMIT of 1000 entries is set.

Note that if your query structure contains many atoms or rings and would, therefore, lead to a very slow similarity search then a warning is displayed:

Related Commands

DICE, TANI

See also Vol. 1, Chapter 6.

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Volume 2 Chapter 2 2D-Constrain Sub-menu TANI.