Molecular Designer View

Primary Drawing Gestures

Trace a circle with one finger to draw a saturated ring. The size of the ring is chosen -using the Number Wheel . To create a fused ring, select an existing bond and then trace a circle. To create a spirocyclic ring system, select an atom and then trace a circle.

Trace a circle with two fingers to draw an aromatic ring. The size of the ring is chosen using the Number Wheel . To create a fused ring, select an existing bond and then trace a circle. To create a spirocyclic ring system, select an atom and then trace a circle.

Swipe with one finger in any of six directions to draw an alkyl chain in that direction. The number of carbons in the chain is chosen using the Number Wheel . The chain is attached to the selected atom extending in the indicated direction. If the selected atom has other attachments, the chain will attempt to go around the connected atoms.

Tap on an atom or bond with one finger to select it. If already selected, the tap will de-select the atom or bond.

Tap twice on an atom or bond with one finger to select the entire molecule.

To clear all selections, tap twice with one finger in empty space. Move Mode is automatically changed to Draw Mode when the selection is cleared.

To add a gem-dimethyl, select an atom and trace a checkmark quickly with one finger.

Toolbar

Return to the Library view without saving the currently displayed molecule.

Asteris has 24 levels of undo and redo available.

Selected atoms, bonds or plus signs can be deleted by tapping the Trash Can icon at the top.

Save the molecule in the current library and return to the Library view.

In-application help is available by tapping the question mark button.

Tap the Draw/Move button to change between Draw and Move mode. The Draw Mode enables the gestures which can be used to create or modify atoms or bonds. The Move Mode can be used when you want to move items around on the screen, change the overall scaling of the drawing, change angles of bonds, or rotate selected items.

To calculate one or more properties, tap the Property Calculator button. Select the properties that you would like to see and press Calculate.

If this is selected, the chosen properties will be automatically updated as modifications are made to the molecule.

To see the Glowing Molecule, tap the Select Glow button and choose the required property.

Moving atoms, bonds and molecules

To change the location of atoms, bonds, and molecules, tap the Move button.

Scaling the molecule
Making sure that there are no atoms or bonds selected, you can change the scale of the molecule using a two-finger pinch in or out. The reference molecule is also scaled.

Rotating a molecule
Rotate a molecule by selecting the molecule with a double tap on an atom or bond and, using two fingers, rotating in a circular fashion clockwise or anti-clockwise in opposite directions.

Rotating an atom around its connected atom
Rotate an atom around its connected atom(s) by selecting the atom to be rotated and dragging one finger around the display.

Drag an atom to a new location
Move an atom to a new location by selecting one atom and a connected bond, and then dragging one finger across the display. The bond will extend as much as you need.

Drag a molecule to a new location
Move a molecule to a new location by tapping an atom twice to select the molecule and then dragging one finger across the display.

Fusing Two Molecules
Two molecules can be fused by selecting one molecule and dragging it so that an atom or atoms overlap with the other molecule. A notification message is displayed when the separate molecules are fused into one molecule.

Drawing Toolbar

The Element buttons (C, H, N, O, S) change the selected atom or atoms into the element tapped. If the tapped Element button is a heteroatom, the appropriate attached hydrogen atoms will be displayed.

Tap the Table button to access the Periodic Table of the elements.

The Sprout button adds one carbon atom to each of the selected atoms.

The Formal Charge buttons change the formal charge of each selected atom. Hydrogen atoms shown will be adjusted for nitrogen, oxygen, and sulphur atoms to match the formal charge state of the atom. For the best result, draw the neutral structure first, then add formal charges.

The Single, Double and Triple bond buttons change the bond type of each of the selected bonds. With any number of bonds selected the bond buttons change the bond type. With any number of atoms selected, the bond buttons will create a new bond if one did not previously exist. The exception is when two atoms are selected and the Single bond button is tapped, in which case a single bond is formed between the two atoms. The Triple bond will change the orientation of a terminal bond to have the correct linear geometry.

The Up and Down Wedge bond buttons change each of the selected bonds to up or down wedge bonds respectively. If the button is tapped a second time, or if the wedge button is tapped with a wedge bond selected, the direction of the wedge is reversed.

The Number Wheel chooses the size of the ring, or the length of the chain made with either the circle or right/left swipe gestures. The circle gesture with the wheel set at “1” or “2” does nothing except display a warning.