ISIS Draw2D

1
????ISIS Draw??2D????

• Ta-Wei Li
• NCTU

2
Basic Strategy for ISIS Draw (1)

• All atoms are carbons unless you specify
  otherwise.
• Click benzene of the template-tool icons on
  the horizontal tool bar
• To place this template anywhere, just click an
  empty area.

3
Basic Strategy for ISIS Draw (2)

• Click benzene Icon again
• Then move the mouse to one bond of the previous
  benzene
• Click the bond
• After attachment, one can obtain naphthalene
  molecule

4
Select, Copy and Paste

• Click the Select tool that appears on the
  tool bar
• Then, move the mouse to naphthalene
• Click the mouse and circle naphthalene like
• Select Edit Copy and Edit Paste
• Move the 2nd naphthalene to a empty space

5
Drawing Bonds

• To draw bonds, click a bond tool on the tool bar,
  such as
• Then move the mouse to any atom of the 2nd
  naphthalene, such as
• Click the mouse to sprout a bond from a atom
• Keep adding a bond to every atom (except two
  bridge atoms)

6
Drawing Atoms

• To draw an atom, click
• Then move the mouse to any sprouted bond of the
  2nd naphthalene, such as
• Click the mouse
• See a text entry field and choose H from a list

7
Finish the 2nd Naphthalene

• Keep moving the mouse to any atom and clicking
  (you do not have to type anything this time) to
  get

8
ISIS Draw Practice 1

• Finish three different types of representation of
  naphthalene molecule, such as
• Try to draw following molecular structures

9
Draw Alkane, Alkene, Alkyne (1)

• To draw bonds, press a bond tool on the tool bar,
  such as
• Next, drag the mouse onto the double-bond tool
• Release the mouse and the cursor indicates that
  you can draw double bonds

10
Draw Alkane, Alkene, Alkyne (2)

• To place this double bond anywhere, just click an
  empty area and then drag the mouse for the
  direction of the bond
• Click and move the mouse to any end of the
  double bond
• See a text entry field and type CH2
• Do the same input to another end of the double
  bond to get

11
Draw Alkane, Alkene, Alkyne (3)

• With the choice of , move the mouse to the
  double bond area, such as
• Click once to get
• Click twice to get

12
ISIS Draw Practice 2

• Try to draw following molecular structures

13
Draw Vitamin K (1)

• To draw chain molecules, click a chain tool on
  the tool bar, such as
• Click an empty area and then drag until a 10-atom
  chain appears
• Move the mouse to the 4th atom and click it to
  sprout a bond, such as
• Move the mouse to the 8th atom and click it to
  sprout a bond, such as

14
Draw Vitamin K (2)

• Move the mouse to the 3rd bond and click it to
  create a double bond, such as
• Click and move the mouse to the 10th atom,
  and then type H, such as
• Question What should the groups be in the two
  red squares?

15
Draw Vitamin K (3)

• Click and move the mouse to the left
  corner above of 6th atom such as
• Click there as the start point of a bracket and
  drag the mouse to the right corner below
• Chose multiple group in Bracket type and type
  3 in Repeat count
• Click Apply and close the window to get

16
Draw Vitamin K (4)

• Please finish the following picture

17
Draw 2/3D Chemical Structure (1)

• Click
• Click an empty area as the start point and then
  drag until a 4-atom chain appears
• Click the rotation tool
• Click any part of the molecule and drag the mouse
  to rotate the molecule, such as

18
Draw 2/3D Chemical Structure (2)

• Click the up-wedge tool
• Click the 2nd atom and drag the up-wedge bond to
  the correct direction, such as
• implies the bond above the molecular plane

19
Draw 2/3D Chemical Structure (3)

• Press and drag the mouse to the down-wedge
  tool
• Click the 2nd atom and drag the down-wedge bond
  to the right direction, such as
• implies the bond below the molecular plane
  

20
Draw 2/3D Chemical Structure (4)

• Click the down-wedge bond again to change its
  direction from to
• Please finish the following picture

21
Draw Cyclohexane (1)

• Click cyclohexane of the template-tool
  icons on the horizontal tool bar
• Click an empty area and click the rotation tool
  to rotate cyclohexane to get
• Select the up-wedge tool and click
  cyclcohexane to get

22
Draw Cyclohexane (2)

• Select the up-bond tool
• Click the Cyclohexane to get

23
Draw Cyclohexane (3)

• Click Templates Rings
• Among various rings, click
• Please try to finish the following picture

24
Homework

• Question 1 What should be the groups in the two
  red squares?
• Finish the following pictures

25
ISIS Draw Practice 3

• Try to draw following molecular structures