Project Tree Tools
Just below the Project Tree, the following tools are available
- Show Sequence Select molecules which have sequences associated (Protein, DNA, RNA) in the Project Tree, and click this button. Then, a split-view will appear with a sequence list editor for each of the sequence data types (Protein, DNA, RNA). This is described in Sequences associated with the molecules.
- Align to Existing Sequence Select a protein chain in the Project Tree, and click this button. Then protein sequences and sequence alignments found in the Navigation Area, can be linked with the protein structure. This is described in Link sequence or sequence alignment to structure.
- Transfer Annotations Select a protein chain in the Project Tree, that has been linked with a sequence using either the "Show Sequence" or "Align to Existing Sequence" options. Then it is possible to transfer annotations between the structure and the linked sequence. This is described in Transfer annotations between sequence and structure.
- Setup Binding Site Clicking this button will invoke the Binding Site Setup dialog box, which will do an automatic binding site setup, display the setup settings and give access to modify them (see Setup Binding Site).
- Ligand Optimizer This opens an interactive dialogue to use for modifying a ligand or docking result. If a Binding Site Setup is present, the modifications will adjust to the binding site, and the interactions can be visualized. This is further described in The Ligand Optimizer.
- Dock Ligand Select ligands that you wish to dock to the Binding Site Setup, and click this button to start the docking (see Ligand docking from the Project Tree).
- Align Protein Structure This will invoke the dialog for aligning protein structures based on global alignment of whole chains or local alignment of e.g. binding sites defined by atom groups. This is described in Protein structure alignment.
- Generate Biomolecule This will invoke the dialog for generating biomolecules based on information available from imported PDB files. This is described in Generate Biomolecule.