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Main Window — Measurements Toolbar |
This toolbar has buttons for making measurements of various quantities in the Workspace.
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Measure Menu equivalent: Tools → Measurements → Pick to Measure. Measure distances, angles, dihedrals or NMR coupling constants. This button has a menu from which you can choose between distance, angle, dihedral, or 1H NMR coupling for measurement. This choice is persistent. You can then click on atoms in the Workspace to define the measurement. You can delete measurements from the Workspace using this menu, and you can open Preferences panel to make settings for measurements. For more information on making measurements, see the Measurements Panel topic. |
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HBonds Display hydrogen bonds as yellow dotted lines and halogen bonds as purple dotted lines. This button has a menu from which you can choose to whether to display H-bonds and halogen bonds and which of the two you want to display (H-Bonds or Halogen bonds); choose to display them between a ligand and a receptor (Ligand-Receptor), within a ligand (Intra-Ligand), between all molecules (All), or to define the sets of atoms to display hydrogen bonds between (Other). |
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Contacts Display contacts as light green, orange, or red dotted lines. This button has a menu from which you can choose to whether to display contact and which of them you want to display (Good, Bad, or Ugly); choose to display them between a ligand and a receptor (Ligand-receptor), within a ligand (Intra-Ligand), between all molecules (All), or to define the sets of atoms to display contacts between (Other). |
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Pi Display pi-pi stacking and pi-cation interactions as sky blue and olive green dotted lines between ring centroids or between ring centroids and charged atoms. This button has a menu from which you can choose to whether to display pi interaction and which of the two you want to display (Pi-Pi Stacking or Pi-Cation); choose to display them between a ligand and a receptor (Ligand-Receptor), within a ligand (Intra-Ligand), between all molecules (All), or to define the sets of atoms to display pi interactions between (Other). |
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