My ligand and receptor protein are in different entries. How can I combine them into a single entry?

You can merge two Project Table entries into a new entry by selecting both in the Project Table, and then choosing "Merge" from the right-click context menu.

If the ligand is in the frame of reference of the protein, and you only want to use it to define the grid center for Glide, you could simply include both entries in the Workspace, and then select "Pick to identify ligand" on the Receptor tab, and pick the ligand molecule.

If you have a number of ligands that you want to combine with a single receptor into a set of complexes, you can do this from the command line with the script pv_convert.py, which you can download from the Script Center. If the receptor and ligands are in the Project Table, select them and export them to a Maestro file with the name name_pv.maegz. You should make sure that the receptor entry is above the ligand entries in the Project Table; if it is not, you should move it up. Once you have this file, you can use it with the script to create a file of complexes.

Keywords: merge entries, ligand, receptor, grid center Glide.

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