Skip Prime Refinement Residues Dialog Box
In this dialog box you can pick the residues to skip in the Prime refinement stage of the induced fit docking protocol. These are residues that would normally be included in the refinement, i.e. residues within the specified distance of the ligand.
To open this dialog box, click Specify Residues in the Prime Refinement tab of the Induced Fit Docking panel.
- Features
- Additional Resources
Skip Prime Refinement Residues Dialog Box Features
- Residues table
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This table lists the residues that have been selected, along with the molecule number that the residue belongs to. The residue is specified by the chain name, residue number, and insertion code, and 3-letter residue code, e.g. A:144 THR.
- Pick a residue option
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Select this option to pick residues in the Workspace. When you click on an atom in the Workspace, the residue it belongs to is added to the residues table.
- Select button
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If you want to select multiple residues, click this button to open the Atom Selection Dialog Box, in which you can construct expressions for selection of residues based on their properties, spatial arrangement, and so on. For example, you can select residues that have atoms within a specified distance of the ligand.
- Delete and Delete All buttons
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Remove the selected residues or all residues from the table.