Molecule List
Last updated
Last updated
This section is about the molecule list in the 3D viewer.
There are several functions for handling your molecules.
These functions will help provide insight.
The 3D viewer page is divided into four parts. (Other parts will be mentioned later)
If you want to change to a black background, you can use dark mode.
To set dark mode, click the slider in the top-right corner.
This is the basic page that you will see every time you access the 3D viewer page.
The highlighted part is the molecule list. There are five columns:
• Mol ID: Molecule Name
• Conf. ID: Conformer ID generated by Hyper Binding
• BS (kcal/mol): Binding Score
• Magnifying Glass: Zoom
• Eye Mark: Activate/deactivate your molecule. You can also pin the molecule.
• Paint: Color of your molecule. It will be applied to the carbon atoms.
The arrow right next to Mol ID means to hide conformers (9 out of 10).
When you click it, you can see the whole conformers with their binding score.
To see each conformer, click the eye mark.
To see the details of the residue-ligand interaction (3D), click the magnifying glass on the left.
To pin a specific conformer/molecule, click the eye mark until the lock icon appears.
While the lock icon is displayed, you can click another conformer’s eye mark to see the difference.
If you want to view all conformers, click the eye mark at the top of the column.
