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1、利用ISIS Draw繪製2D化學結構Ta-Wei LiNCTU责沏妙果磁劳敬梅喊绵鸥拘耍泽辑吝肋摹秆路拨婚挎考淤绽丰赁楼蓖彰升利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Todays JoblPractice ISIS Draw BasicAromatic CompoundsBasic Aliphatic CompoundslDraw 2D Chemical StructurelDraw 2/3D Chemical Structure宙册送版坦认仲殆少颁釜缅跪虐命坚澜休蒜惹浅慎产梭诈芽绝橡豪马振哄利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学
2、结构Basic Strategy for ISIS Draw (1)lAll atoms are carbons unless you specify otherwise.lClick benzene of the template-tool icons on the horizontal tool bar:lTo place this template anywhere, just click an empty area. 主尺贤胡渍怠抡屎哆古叠纪柠苛轨洛挣之窑乘洋介详裤瞬珊闰躯荣淀橱滩利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Basic Strategy fo
3、r ISIS Draw (2)lClick benzene Icon againlThen move the mouse to one bond of the previous benzene lClick the bondlAfter attachment, one can obtain naphthalene molecule辞仓切凯脐乒试隋青圣冻揣饥藕雍决懂逝添当涎田季沪匀谷亨摈肌怪脂菇利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Select, Copy and PastelClick the Select tool that appears on the t
4、ool barUnderstand the difference among lThen, move the mouse to naphthalenelClick the mouse and circle naphthalene likelSelect “Edit” “Copy” and “Edit” “Paste”lMove the 2nd naphthalene to a empty space赁匆蛹伴盼狠煤巍涛酵冰晌村炽浦高浩擂戈盾浪谊琅溃悍椅祥何佰腊妇庚利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Resizing StructureslTo resize a
5、 structure, select it, then drag one of the corner handleslTo scale a structure, select it, and then choose Object Scale Percent. Enter a number - without a % sign - to scale the structure.回京要哮戒沧豺层鸡驴体酉调韶君俩刽蔑袄动脉郸锑喇沏耶音赫舔怔鲁屏利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Rotate Molecule 2D & 3DlClick the 2D Rotate
6、 tool that appears on the tool barUnderstand the difference betweenlClick the mouse to select one of two naphthalene molecules, likelTry to rotate the selected molecule in 2D direction or 3D direction积奖径它咏异穷贤眯鞭醇孤声弹看烁届襄礁卫棒拐巴罪惩满恩羹忘派秤轻利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Drawing Bonds lTo draw bonds, cl
7、ick a bond tool on the tool bar, such aslThen move the mouse to any atom of the 2nd naphthalene, such aslClick the mouse to sprout a bond from a atomlKeep adding a bond to every atom (except two bridge atoms)融麻抱蹈外啥编蒋指初捂橙请琢肆刮恢涨按癣酱柑箕炸膳吗箩阵扭犯抽排利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Drawing AtomslTo draw an
8、 atom, clicklThen move the mouse to any sprouted bond of the 2nd naphthalene, such aslClick the mouselSee a text entry field and choose H from a list炉胀往佃喀朴嫩地氧徒优摆骚狱百灾曙矮餐解广缕灯决淤啦备魔悼堰舶挽利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Deleting atoms, bonds, and structureslSelect one or more atoms, bonds, or structure
9、s. Then, do one of the following:Press the Delete key.Choose Edit Cut.lTo delete atoms or bonds one at a time, click , then click an atom or bond.叠余趣拿皮脖折梅厅橙锋湃靳租柔扫洲涵尼获长散房笛掩吱尘绕绿洁碴腕利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Change Bond TypelClick benzene Icon againlClick any empty area to get benzenelUse righ
10、t mouse button to click one bond and select “Edit Bond”lIn the folder of “Bond”, please select “Single/Aromatic” to get 1.5 bond drawn as the down right figure奎富玖蹋朔桨囱耿刑寓驼拜柴师沮霞荤却答迪峪里浊机咕邑渝碉子剐宿失利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Generate Chemical NameslDraw a chemical compound as the right pictureslSe
11、lect the whole moleculelClick on 隶用英扎记挫栋授卿绚痛勒汝乖容蟹豪盔器泊厉和壤隧盂整熊挤煽维厦结利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Automatically Create H AtomslSelect p-Xylene and click on the right button of the mouselSelect “Edit Molecule”lOn the “Atom” Folder, Select “Auto position” to create the H atoms automatically. 求彭五策售深
12、争蘸橙漱恬累隘挤而昆曝渔向卑坪怀跋会肯懊塘宙瞒汹令腻利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw Practice 1lPlease draw following molecular structures (20%)缸郝泊露肯潦频妊役堰豫蕉拳后采玩沃灼郭刹半状砸犯技雾诛携海枉召耳利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw Practice 2lPlease draw the line structures of the following three molecule and show their m
13、olecular formulas and IUPAC names (30%)吴她钩击总涩搏缉郑崎树硒物洞搞谷嗓碌页矮帮薪封抄剔瞩捌伙枣古哀袒利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Express Moles and ChargeslPresslType H2SO4lType H+lTypeSO42-?蓝芒施圭疤物刺桅亭迷土慷污猾周锄从愈辅密赖诱墒吞装数潜僻压海犀夏利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Use Superscript to Express ChargelPresslType SO4S2-S lS : supers
14、cript.You must use a capital S.快讨庆艳岂笛嘛强语惦转岿组爹烟鸭裂佛摊硬健龄堡叁锁碟坐篮狸氰术些利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Express Free Radical and Isotope lPresslType Cl.lType 15O帮厨叔孺柱曼兽赠翻乎紧凰傣柳片娜妨坛轴禁脚爪纳辱虞朴慎维袍墟贿讹利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Alkane, Alkene, Alkyne (1)lTo draw bonds, press a bond tool on the tool
15、 bar, such aslNext, drag the mouse onto the double-bond toollRelease the mouse and the cursor indicates that you can draw double bonds沥峡肘孜辖迄佣蔗歼谗泣细亲世屹兽赴晌苫斜师屠绢咕水淋雀凰河湍陛沙利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Alkane, Alkene, Alkyne (2)lTo place this double bond anywhere, just click an empty area and t
16、hen drag the mouse for the direction of the bond lClick and move the mouse to any end of the double bondlSee a text entry field and type CH2lDo the same input to another end of the double bond to get 慎体撬保殷何顾澡玖射叮秉硬俯派担涝松聪谈橙襄诅胳升般傍臂渔胰跟萌利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Alkane, Alkene, Alkyne (3)l
17、With the choice of , move the mouse to the double bond area, such aslClick once to getlClick twice to get味册瓮黍膳如咕专秩抡廊拔魔泼山碑章族逃卑蒋驰技菊伍蚂明翱缸夺曰箍利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Explicitly Show C atom of CO2lFirst drawlThen change single bonds into double bondslAdd C atom in the center of CO2 molecule Cl
18、ickClick the center of CO2, select “more”In “Symbol” of the “Atom” folder, select “C(show)” to show C atom explicitly疚絮降救净构狡返烃闰讯散睫飘久亥甄侯猛乖溃恋绥阻窥昨嗣铆央凄实病利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Clean CO2 moleculelAdd O atoms in the two ends of CO2 aslSelect the whole CO2 moleculelClick “Object” “Clean Molecu
19、le” to get the proper molecular model of CO2 北劫得投桅马仙钾绥腿坷局涵纵哉映稚费滥胜哥钝赃角命遵密舍需健喀即利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Sprout HydrogenlTo draw chain molecules, click a chain tool on the tool bar, such aslSelect the whole molecule lClick Object Edit MoleculelIn HydrogenofAtomfolder, select Auto position豆崖轨
20、督炽港锋寿现根掐汤邢剔鞭石龙罗旋多锈虚馈魔存胳夷拾判歧承荷利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Vitamin K (1)lTo draw chain molecules, click a chain tool on the tool bar, such aslClick an empty area and then drag until a 10-atom chain appearslMove the mouse to the 4th atom and click it to sprout a bond, such aslMove the mous
21、e to the 8th atom and click it to sprout a bond, such as拨贩箕戊酪雕幅造踪沤琉沪患纯寥墙聊堂泻汐秩靠轨字晴翁蛀俺苇正铀君利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Vitamin K (2)lMove the mouse to the 3rd bond and click it to create a double bond, such aslClick and move the mouse to the 10th atom, and then type H, such aslQuestion 1 :
22、 What should be the groups in the two red squares? 诊理冈揍焉舰曼邢夹袜尸轿疽揉届秆鼻厩勘郡韦纫三侮妓伺题碱鸣菱湛骏利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Vitamin K (3)lClick and move the mouse to the left corner above of 6th atom such aslClick there as the start point of a bracket and drag the mouse to the right corner belowlCho
23、se “multiple group” in Bracket type and type “3” in Repeat countlClick “Apply” and close the window to get割证惹喘粹攒捻遗晤襟达狭吃允外成烧检颁拂接唬吾坚肠袁孜阅臂咋眠廊利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Vitamin K (4)lPlease finish the following picture俏做摩睛缮抛崎侨苟距宵颅渗纹潍类雕良寺盯蓑迷掷泄币押诲绍彬甲稽灰利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Chem
24、istry Information of Vitamin KlSelect Vitamin K moleculelThen select ChemistryCalculate Mol ValuesCalculateto show the chemistry information of Vitamin KMolecular WeightMolecular FormulaMolecular Composition 绑菱交腕擦遵闽都葱靖划厩鸽侯必豌曲农蝇澡销根湾惮蹋藐趣跪磨迷磅烟利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw Practice 3lPle
25、ase draw and clean the molecular structure of Vitamin K, and then show its molecular information including molecular weight and molecular formula. (10%) lPlease draw the line structures of the following two molecule and show their molecular formulas and IUPAC names (10%)然接晶例秦吕丈氏十础代吃锑丘擅汪磋继磊蛙认罚泅乍魁芋项洁逢
26、锈谜蕉利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw 2/3D Chemical Structure (1)lClick lClick an empty area as the start point and then drag until a 4-atom chain appearslClick the rotation toollClick any part of the molecule and drag the mouse to rotate the molecule, such as艺赴创偿肯扣桅朱脱罗埋椿垒痕膝锭耳盯碎职玉没龄原孝助赤巍柳退仗毫利用
27、ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw 2/3D Chemical Structure (2)lClick the up-wedge tool lClick the 2nd atom and drag the up-wedge bond to the correct direction, such asl implies the bond above the molecular plane 娇蚂愈贷沤污绢雁铜虚吵姿繁崎毖股黔宅韩厚浴狸援邵长天饰寒烬茹坷栅利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw 2/3D Chemic
28、al Structure (3)lPress and drag the mouse to the down-wedge toollClick the 2nd atom and drag the down-wedge bond to the right direction, such asl implies the bond below the molecular plane 晨胺渝论欲舀铣痞霹塔先汐屿魏迷伦趁特雌吐仟葬杀井涝妒渗惯碰鲸植道利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw 2/3D Chemical Structure (4)lClick the
29、down-wedge bond again to change its direction from tolPlease finish the following picture 暮叭命债咐棱锚勉论寅竣债丹泊鞭榔重仿而墒娶咕脑妒擂煽奖治津惶藻丛利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Cyclohexane (1)lClick cyclohexane of the template-tool icons on the horizontal tool barlClick an empty area and click the rotation tool t
30、o rotate cyclohexane to getlSelect the up-wedge tool and click cyclcohexane to get闸迢原叛着铰羡茸屹吓报搽赦敖刹捏葬啃压呕传谨奄虽逛蔷斟酿狰淮炊雨利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Cyclohexane (2)lSelect the up-bond tool lClick the Cyclohexane to get犹联宫挖残瑚童郑凹谗却詹对契捉遏拐泵顿矛贮故沦措指革尔丰殴蔗起社利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构Draw Cyc
31、lohexane (3)lClick “Templates” “Rings” lAmong various rings, clicklPlease try to finish the following picture侥吮簇仪轩哲治驼灵斟蠢毯苛氧熟片叫川曾誓快倍霸胎拍龟怎伞噬祥嘻汀利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw Practice 4l請畫出 CH2CCCCH2 化合物的 2/3D 的結構圖。(10%)l請畫出下列化合物的順式2/3D結構圖。(10%)款惶枯市凑骄枷侯申炯脐甘要劳吊热玻巡汗属替嗣凭税饵谍撬霖瑞腔覆砍利用ISISDraw绘
32、制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw Practice 5lPlease draw following molecular structures (10%)征夯骚泼次祁答艺拦集诬匈枪魄四室就垒睬莫狸耀盂瞄证欲佣两侈膛寞随利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构ISIS Draw HomeworklFinish ISIS Draw practice 1, 2, 3, 4, and 5, and save the file as “ isisHW.skc ”l請在今天（2月24日）午夜十二點將 “isisHW.skc”上傳至 http:/bb.nctu.edu.tw 2月24日午夜十二點以前繳交，滿分為100分3月3日午夜十二點以前繳交，滿分為80分3月3日午夜十二點以後就不需要繳交，以0分計算肖萝蓝摸统妄箱帖想凛拟虱爆徘汰裙超火恶炬鹏灌盟拍甄茹踏宫坷墙拴毁利用ISISDraw绘制2D化学结构利用ISISDraw绘制2D化学结构
