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1、利用ISISDraw绘制D化学结构,ISIS Draw繪製2D化學結構,Ta-Wei LiNCTU,利用ISISDraw绘制D化学结构,Todays Job,Practice ISIS Draw BasicAromatic CompoundsBasic Aliphatic CompoundsDraw 2D Chemical StructureDraw 2/3D Chemical Structure,利用ISISDraw绘制D化学结构,Basic Strategy for ISIS Draw (1),All atoms are carbons unless you specify otherwi
2、se.Click benzene of the template-tool icons on the horizontal tool bar:To place this template anywhere, just click an empty area.,利用ISISDraw绘制D化学结构,Basic Strategy for ISIS Draw (2),Click benzene Icon againThen move the mouse to one bond of the previous benzene Click the bondAfter attachment, one can
3、 obtain naphthalene molecule,利用ISISDraw绘制D化学结构,Select, Copy and Paste,Click the Select tool that appears on the tool barUnderstand the difference among Then, move the mouse to naphthaleneClick the mouse and circle naphthalene likeSelect “Edit” “Copy” and “Edit” “Paste”Move the 2nd naphthalene to a e
4、mpty space,利用ISISDraw绘制D化学结构,Resizing Structures,To resize a structure, select it, then drag one of the corner handlesTo scale a structure, select it, and then choose Object Scale Percent. Enter a number - without a % sign - to scale the structure.,利用ISISDraw绘制D化学结构,Rotate Molecule 2D & 3D,Click the
5、 2D Rotate tool that appears on the tool barUnderstand the difference betweenClick the mouse to select one of two naphthalene molecules, likeTry to rotate the selected molecule in 2D direction or 3D direction,利用ISISDraw绘制D化学结构,Drawing Bonds,To draw bonds, click a bond tool on the tool bar, such asTh
6、en move the mouse to any atom of the 2nd naphthalene, such asClick the mouse to sprout a bond from a atomKeep adding a bond to every atom (except two bridge atoms),利用ISISDraw绘制D化学结构,Drawing Atoms,To draw an atom, clickThen move the mouse to any sprouted bond of the 2nd naphthalene, such asClick the
7、mouseSee a text entry field and choose H from a list,利用ISISDraw绘制D化学结构,Deleting atoms, bonds, and structures,Select one or more atoms, bonds, or structures. Then, do one of the following:Press the Delete key.Choose Edit Cut.To delete atoms or bonds one at a time, click , then click an atom or bond.,
8、利用ISISDraw绘制D化学结构,Change Bond Type,Click benzene Icon againClick any empty area to get benzeneUse right mouse button to click one bond and select “Edit Bond”In the folder of “Bond”, please select “Single/Aromatic” to get 1.5 bond drawn as the down right figure,利用ISISDraw绘制D化学结构,Generate Chemical Nam
9、es,Draw a chemical compound as the right picturesSelect the whole moleculeClick on,利用ISISDraw绘制D化学结构,Automatically Create H Atoms,Select p-Xylene and click on the right button of the mouseSelect “Edit Molecule”On the “Atom” Folder, Select “Auto position” to create the H atoms automatically.,利用ISISDr
10、aw绘制D化学结构,ISIS Draw Practice 1,Please draw following molecular structures (20%),利用ISISDraw绘制D化学结构,ISIS Draw Practice 2,Please draw the line structures of the following three molecule and show their molecular formulas and IUPAC names (30%),利用ISISDraw绘制D化学结构,Express Moles and Charges,PressType H2SO4Ty
11、pe H+TypeSO42-,?,利用ISISDraw绘制D化学结构,Use Superscript to Express Charge,PressType SO4S2-S S : superscript.You must use a capital S.,利用ISISDraw绘制D化学结构,Express Free Radical and Isotope,PressType Cl.Type 15O,利用ISISDraw绘制D化学结构,Draw Alkane, Alkene, Alkyne (1),To draw bonds, press a bond tool on the tool bar
12、, such asNext, drag the mouse onto the double-bond toolRelease the mouse and the cursor indicates that you can draw double bonds,利用ISISDraw绘制D化学结构,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
13、and move the mouse to any end of the double bondSee a text entry field and type CH2Do the same input to another end of the double bond to get,利用ISISDraw绘制D化学结构,Draw Alkane, Alkene, Alkyne (3),With the choice of , move the mouse to the double bond area, such asClick once to getClick twice to get,利用IS
14、ISDraw绘制D化学结构,Explicitly Show C atom of CO2,First drawThen change single bonds into double bondsAdd C atom in the center of CO2 molecule ClickClick the center of CO2, select “more”In “Symbol” of the “Atom” folder, select “C(show)” to show C atom explicitly,利用ISISDraw绘制D化学结构,Clean CO2 molecule,Add O
15、atoms in the two ends of CO2 asSelect the whole CO2 moleculeClick “Object” “Clean Molecule” to get the proper molecular model of CO2,利用ISISDraw绘制D化学结构,Sprout Hydrogen,To draw chain molecules, click a chain tool on the tool bar, such asSelect the whole molecule Click Object Edit MoleculeIn Hydrogenof
16、Atomfolder, select Auto position,利用ISISDraw绘制D化学结构,Draw Vitamin K (1),To draw chain molecules, click a chain tool on the tool bar, such asClick an empty area and then drag until a 10-atom chain appearsMove the mouse to the 4th atom and click it to sprout a bond, such asMove the mouse to the 8th atom
17、 and click it to sprout a bond, such as,利用ISISDraw绘制D化学结构,Draw Vitamin K (2),Move the mouse to the 3rd bond and click it to create a double bond, such asClick and move the mouse to the 10th atom, and then type H, such asQuestion 1 : What should be the groups in the two red squares?,利用ISISDraw绘制D化学结构
18、,Draw Vitamin K (3),Click and move the mouse to the left corner above of 6th atom such asClick there as the start point of a bracket and drag the mouse to the right corner belowChose “multiple group” in Bracket type and type “3” in Repeat countClick “Apply” and close the window to get,利用ISISDraw绘制D化
19、学结构,Draw Vitamin K (4),Please finish the following picture,利用ISISDraw绘制D化学结构,Chemistry Information of Vitamin K,Select Vitamin K moleculeThen select ChemistryCalculate Mol ValuesCalculateto show the chemistry information of Vitamin KMolecular WeightMolecular FormulaMolecular Composition,利用ISISDraw绘制
20、D化学结构,ISIS Draw Practice 3,Please draw and clean the molecular structure of Vitamin K, and then show its molecular information including molecular weight and molecular formula. (10%) Please draw the line structures of the following two molecule and show their molecular formulas and IUPAC names (10%)
21、,利用ISISDraw绘制D化学结构,Draw 2/3D Chemical Structure (1),Click Click an empty area as the start point and then drag until a 4-atom chain appearsClick the rotation toolClick any part of the molecule and drag the mouse to rotate the molecule, such as,利用ISISDraw绘制D化学结构,Draw 2/3D Chemical Structure (2),Click
22、 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,利用ISISDraw绘制D化学结构,Draw 2/3D Chemical Structure (3),Press and drag the mouse to the down-wedge toolClick the 2nd atom and drag the down-wedge bond to the right
23、 direction, such as implies the bond below the molecular plane,利用ISISDraw绘制D化学结构,Draw 2/3D Chemical Structure (4),Click the down-wedge bond again to change its direction from toPlease finish the following picture,利用ISISDraw绘制D化学结构,Draw Cyclohexane (1),Click cyclohexane of the template-tool icons on
24、the horizontal tool barClick an empty area and click the rotation tool to rotate cyclohexane to getSelect the up-wedge tool and click cyclcohexane to get,利用ISISDraw绘制D化学结构,Draw Cyclohexane (2),Select the up-bond tool Click the Cyclohexane to get,利用ISISDraw绘制D化学结构,Draw Cyclohexane (3),Click “Templates” “Rings” Among various rings, clickPlease try to finish the following picture,利用ISISDraw绘制D化学结构,ISIS Draw Practice 4,請畫出 CH2CCCCH2 化合物的 2/3D 的結構圖。(10%)請畫出下列化合物的順式2/3D結構圖。(10%),利用ISISDraw绘制D化学结构,ISIS Draw Practice 5,Please draw following molecular structures (10%),