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Export Rotatable Groups Dialog Box |
This dialog box allows you to export a receptor for which rotatable groups (hydroxyls) have been defined in the Glide Receptor Grid Generation panel with the rotatable groups in one set of the alternate orientations, along with poses that docked with that set of orientations.
The coordinates of the receptor in the pose viewer file are those of the original orientation, but information is included on the alternative orientations. This dialog box allows you to write a file with the alternative coordinates, which you can then use in other applications.
To open the Export Rotatable Groups dialog box, you can:
Click Export Rotatable Groups in the Pose Viewer panel.
These options can be used to select the poses that are exported with the receptor.
Receptor only—Export only the receptor, with the rotatable groups in the current orientations.
Receptor and this pose only—Export the receptor with the rotatable groups in the current orientations and the ligand pose that is currently included in the Workspace. There must be only one ligand pose included.
Receptor and all poses for which movable atoms are in these positions—Export the receptor with the rotatable groups in the current orientations and all ligand poses for which the receptor adopts this set of orientations.
Enter the name of the file (including path) to export the structures to
in the text box, or click Browse and navigate to the
file. The file must be an uncompressed Maestro file (.mae).
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