如何用Diamond構(gòu)建Polyhedral圖

1、1.導(dǎo)入晶胞:打開后，彈出以下窗口，點(diǎn)擊下一步，即可。繼續(xù)點(diǎn)擊下一步。關(guān)于如何構(gòu)建晶體結(jié)構(gòu)，我們前期介紹了CrystalMaker這款軟件。下面幾期內(nèi)容我們將介紹另夕款常用的晶體結(jié)構(gòu)軟件“Diamond。本期內(nèi)容將介紹如何用Diamond構(gòu)建立體多邊形結(jié)構(gòu)（本期內(nèi)容來自廣州大學(xué)湯政斌同學(xué)的投稿，在此表示感謝）。把cif文件拖入diamond即可；或者openI電電當(dāng)彈出picturedesign設(shè)置窗口時(shí)，建議把background顏色選白色（個(gè)人愛好）。按下一步，再按完成，即出現(xiàn)下圖。EBpfrfl*r七員fcpJr嚴(yán)轉(zhuǎn)rimEVOM)dpsIVKMeUkfiwtridlMMb4Inrr:i

2、r|Imthvft:iriric-hHHRi下一*梅-暢!4iAtabMOML.PMxHripiffTAJMt幣豊準(zhǔn)甲lw!,illIdllU-TI4111u1Tljj1LI1I.添加與修飾多面體點(diǎn)擊工具欄的Build,選擇PolyhedraAddPolyhedra（添加多面體）。:F：awi?raKi：總殆機(jī)工紬QlO多-創(chuàng)訂比二Uri-mvtMtaEHpAHiniTumijCamTHtactvipiuicrwrihAhAjhIbLdb選擇中心原子與對(duì)應(yīng)配位原子,構(gòu)成多面體。（首先Al和0配位）然后，點(diǎn)擊Design。rjthWuuMkML,Olit-:iH也匕卩%孝心串X遇E律1IWvex

3、.-rdu.!-WIIEU11型盤C1Uj-HfjcqicCBLIf4MHI11-wai:試叫1*raurnTGIraattii*E.ILWNI1L1U*4WLII剛討j閩仙4i4W4TI|屯冊(cè)賀JWWJJ4Merh*粗F3a.彈出polyhedradesign設(shè)置窗口（顏色選了turquoise,透明度調(diào)至0.6）,然后點(diǎn)b.彈出Materialsettings窗口如下圖（Blue調(diào)至0.3）個(gè)人覺得此處可以把多面體調(diào)亮點(diǎn)，更有光澤。C.總體設(shè)置如下圖。KlwIUrIMMWwpliiVEFriBrwwM強(qiáng)WlhiM*MftpW*BnwarirviAn.Mz3zl:=mJ:盤工I.1a+IlJ

4、R.IJ4i941nfrrtw護(hù)l礙ftd.設(shè)置完上述步驟，即可點(diǎn)擊Applynow。AddPolyhedraTypeofsphE已Generic(spheresfromconne匚tiWtlist)QFixedRMini:0RMaxS:2.5Angleepsilondeg,usedtoextendtrianglestohigherpolygons;0Replaceexistingpolyhedrae.Al和O配位的效果圖如下。M.二口二TI一計(jì)BweWMJ軌初冊(cè)血JTftlz豐*FBrLlx*311-*aii-F*亠L(fēng)l-tiHTThw,FCHi融*1/f*muHTlii,iti*&aAfr

5、H*q-*kwnisp:MejlAuiRH9DIIKHKmilrwiau*-w心lUw1附Mumioui-m曲31*1141均IBaiBLl1sjQU-b-刊H4UIIMXLL-M4WCIIlmALadh郴HflWH重復(fù)步驟二的-，建立Lu和0的配位的多面體結(jié)構(gòu)（紅色、透明度：0.8；materialsettingRed:0.50）。即可得到如下效果圖。Z-SJIM-;添加骨架，點(diǎn)擊工具欄的picturePolyhedralDesigns把勾去掉PolyhedronDesignStyleandColorsHatchingOthersGlobesettjrigsthatapplyto訓(xùn)coord

6、inationpolyhedraandcannotbeastgnecitoselectedpolyhedraonly:PIDarkenbackfacesPlHidebondsbetweencentralndligandatom-Ligandatomsreducing0-9AACancelOUpdateexistingpolyhedra添加骨架后的效果圖aMnm*!呈vnoAnidU二EM*mwuid-Sll-WheilQHOlMLEtCHlbIttFMt-au-WKSt-電|W*HIB申4叫*卄H咤-Al-HM4LEisi_jfn11.HMril1T陶劇i機(jī)；|F呼Iff3UIA4：KM1nt

7、MLsQL;2M*le0Lww-*ffaamviratSj!b*口總3Mrdlta*:.二:*豈:*=盤355-!-3KlbHfenE-LLLLLtILLIFL-L-inL設(shè)置Al和Lu原子的顏色：工具欄pictureatomdesign丄4!*Inb-rZBkA曹肚卑俎*Rn*駁供q3虹J*-Mm|etoAdtaf.bT4MnM.電Am.R：貞Eir：juik二r-iri.?Ijij$-p*=_.上*i一一iij=.I_t一_F_afrrwrau:二he料耳凈取s網(wǎng)隹*頁(yè)碼氣nt趙乂毛歸*cKta懺+*iu匕拼詩(shī)涉匚中網(wǎng)總盤非ForH絹.pressFl選擇其中一個(gè)Lu原子點(diǎn)擊鼠標(biāo)右鍵copy

8、鼻u.Effir1fL-liLilOt$KIX*!.Trurf.#.t4審知4kTjQFCWrMnwMNmlhEdtMri*lhhmvkcm*如TnIf-ww1*iiiirl4-|M-.AWh十.VWtFTiirkD|4LE磯：LIWMSHr陸Zlttivui.K6B1LMS：I爼時(shí)ImviianSrfihl二帶！iutMM囂鳥二：上w=LIllIJlll-huIJ-llllli“l(fā)-l!FUtftnKQpqfcil|；MmitHK!TiiLBIAtLrrd:uzdiiswu4*UB1TiT詢UKAKH祖i土.6S-.fl柚!i!IHnS-.4W,屮-W,11Mi選中整個(gè)多面體結(jié)構(gòu)，點(diǎn)擊工具欄

9、BuildConnectAtomsEEkriBriMdpMiBww?rtnm&MwrlhMnrihCW-MHgn厶融七.些趙yCwhtMfcN5HIJW411IW曙：lMWIHMMICopytonewpicture后的效果圖如下:口*巳為q*-審右耳魅屯4n|vnn-MIM*E40F#氓OL-*Ml-tlLL呂賢Oh心豐史斗當(dāng)iUJiAEwwDKFtmtianEgVMMhmBMtZni顯:i*MvHlEtFMSrpm中FjAcpnrarJQ.41IMUa.m!聲82-3S3KJLJNfy*口ie*$“-IHfliLlJ3nt3*ilAr*iJin-hu色普d百*D*啕廿靜.RMtaMU4XrC

10、H4NtwMOEdr33UILUILJLJU1L5*01rtlj-3liaia*.2-WUSRMhCJj.nw*WR17STjMMl41JLZNJ444EI4M*3WiJ-wJJ|FWWLuJCiV-dLfQMwRwr.ggrr利.加,LnLjLKTffalCMt.TMO.1JHM,護(hù)血i”rHftbfvIKEE二匕E?1*右比|4吒iM；KiTflWfronFM.Mon咼申叫34jbl354103Ot2Ml*1ULJW4W3MW再叭UL15-MZJ4L4At*：ULa4扎1M*14HfrU.ISCbDUSX131MLEFUL1MWaa3LUsinpww*99VWTCfJHNIMFB1RIWI

11、!Mh_.ifT&.nvw.1!,葉影呻2nWHrirfnActn-rari.Aqkpi*FJbwradJhWJ61smM2J(M輛爾：3t2Bl4K*+-|LunB40KZ3ELWS腫JMU滬期101葉Ml3MUZXM-5l4!SI：肆sn*W翟呵lu*jhit弊1.力=(爐如*kfcjri,Mt,nMa.選擇隨便其中一個(gè)原子，右鍵copy；再點(diǎn)擊工具欄Editcopytonewpicture得到新的圖如下，把所有氧原子選中（按著Ctrl鍵，點(diǎn)擊鼠標(biāo)左鍵），再點(diǎn)擊右鍵destroyatoms.導(dǎo)出圖片。a.點(diǎn)擊工具欄的picturlayoutbitmap調(diào)成200或者300（個(gè)人喜歡，看起來更清晰）。Layout丁目B葫匚kgroundChoose,Hthpirture-starget抵aprintoutP爭(zhēng)號(hào)e旦bitmap.arn口n=ofthem.OWindowThilayouthasn