R-Group Filter Dialog Box
Set up a filter to be applied to the structures generated in the R-group enumeration.
To open this dialog box, click the Filter Options button in the Custom R-Group Enumeration panel.
- Using
- Features
- Additional Resources
Using the R-Group Filter Dialog Box
To set up a filter:
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Click Add Property to open a property selector.
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Choose the properties you want to filter on, and click Select.
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Set the minimum and maximum value of numeric properties using the text boxes, the arrow buttons, or the slider.
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Repeat from step 2 to add more properties to the filter.
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Click Save to save the filter and apply it.
The number of structures that match the filter is reported below the filter criteria. The structures must match all filter criteria (i.e. there is a logical AND between the criteria).
R-Group Filter Dialog Box Features
- Add Property button
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Add filter criteria for one or more properties. Opens the Choose Property dialog box, where you can select the properties from those available. See Property Selection for more information.
- Filter criteria controls
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These controls are common for each property filter criterion, and consist of:
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Checkbox—apply or skip this property when filtering.
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Property name
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Condition option menu—set the condition on the values of the property. The possible values are between (inclusive), less than, greater than for numeric properties, contains for text properties, and has value True or has value False for boolean properties.
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Text boxes—set the limit or limits on the property value for a numeric property, or enter the text to match for a text property.
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Settings button menu—offers options to reset the limits to their default values, or remove the property from the criteria set
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- Filter results information
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The number of ligands that match the filter in its current state is reported here. It is updated for each change in the filter criteria.
- Reset All Criteria button
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Reset all the filter criteria to their default values.