SMARTSviewer automatic visualization retrieving

Visualizations of the SMARTSviewer can be downloaded automatically as images via the SMARTSviewer URL. For this purpose, a special syntax needs to be followed:<image-format>/<visualization-modus>/<legend-option>/<SMARTS>

Syntax rules

image-format: pdf, png or svg
visualization modus: 1 or 2 (1 = Complete Visualization, 2 = Element Symbols)
legend option: both, none, static, dynamic
SMARTS: All special symbols used in SMARTS can be used except '#', which has to be escaped with %23, see example 3.

Examples of usage

  • SMARTS:[CX3](=[OX1])[OX2][CX3](=[OX1])
    Image in png-format, as Complete Visualization and without a legend:[CX3](=[OX1])[OX2][CX3](=[OX1])

  • SMARTS: [$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])]
    Image in pdf-format, visualization with element symbols and with the dynamic legend:[$([nr5]:[nr5,or5,sr5]),$([nr5]:[cr5]:[nr5,or5,sr5])]

  • SMARTS: [#6][$([NX2]=O),$(N=C=O),$(OC#N),$(SC#N)]
    Cave: The '#'-Symbol has a special meaning in urls, therefore it has to be escaped with a %23, leading to the string [%236][$([NX2]=O),$(N=C=O),$(OC%23N),$(SC%23N)]
    Image in png-format, as Complete Visualization and with both legends:[%236][$([NX2]=O),$(N=C=O),$(OC%23N),$(SC%23N)]

Note:The newly developed SMARTScompare view is not included in our REST service.

Warning: If your SMARTS contains syntax-errors, you get only an empty picture. In that case you should go to the SMARTSviewer homepage and use the error messages there to fix your SMARTS expression.

Copyright: Be sure to mention the origin of the visualization as „SMARTSviewer, ZBH Center for Bioinformatics, University of Hamburg“