| 5 | 1/1 | 返回列表 |
| 查看: 1090 | 回復(fù): 3 | |||
| 【懸賞金幣】回答本帖問(wèn)題,作者cyg801116將贈(zèng)送您 100 個(gè)金幣 | |||
| 當(dāng)前只顯示滿足指定條件的回帖,點(diǎn)擊這里查看本話題的所有回帖 | |||
cyg801116銀蟲 (小有名氣)
|
[求助]
晶體數(shù)據(jù)檢查B類錯(cuò)誤求大俠指點(diǎn),謝謝大俠 已有1人參與
|
||
|
PLAT430_ALERT_2_B Short Inter D...A Contact O3 ..O7 . 2.69 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O5 . 2.69 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O8 . 2.70 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O5 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O6 ..O7 . 2.62 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O4 . 2.56 Ang. -x,1-y,1-z = 3_566 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O5 . 2.58 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O7 . 2.55 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O3 . 2.59 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O6 . 2.59 Ang. x,y,z = 1_555 Check 晶體檢查出現(xiàn)這些B類錯(cuò)誤,利用DFix命令無(wú)效,也沒(méi)有氫鍵之類的。無(wú)機(jī)物晶體結(jié)構(gòu)。求助大俠幫忙,謝謝大俠! |
|
PLAT430_ALERT_2_B Short Inter D...A Contact O3 ..O7 . 2.69 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O5 . 2.69 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O8 . 2.70 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O5 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O6 ..O7 . 2.62 Ang. x,y,z = 1_555 Check, 這些是要你檢測(cè)兩個(gè)氧之間的距離,通常距離是要小于兩個(gè)原子范德華半徑之和減0.2的 PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O4 . 2.56 Ang. -x,1-y,1-z = 3_566 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O5 . 2.58 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O7 . 2.55 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O3 . 2.59 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O6 . 2.59 Ang. x,y,z = 1_555 Check 同上,要檢測(cè)F原子和氧原子之間的距離 不行的話就上數(shù)據(jù) |
|
PLAT430_ALERT_2_B Short Inter D...A Contact O3 ..O7 . 2.69 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O5 . 2.69 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O4 ..O8 . 2.70 Ang. -x,1-y,1-z = 3_566 Check PLAT430_ALERT_2_B Short Inter D...A Contact O5 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT430_ALERT_2_B Short Inter D...A Contact O6 ..O7 . 2.62 Ang. x,y,z = 1_555 Check, 這些是要你檢測(cè)兩個(gè)氧之間的距離,通常距離是要小于兩個(gè)原子范德華半徑之和減0.2的 PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O4 . 2.56 Ang. -x,1-y,1-z = 3_566 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O5 . 2.58 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F1 ..O8 . 2.61 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O7 . 2.55 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O3 . 2.59 Ang. x,y,z = 1_555 Check PLAT431_ALERT_2_B Short Inter HL..A Contact F2 ..O6 . 2.59 Ang. x,y,z = 1_555 Check 同上,要檢測(cè)F原子和氧原子之間的距離 |
銀蟲 (小有名氣)
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 環(huán)境調(diào)劑 +7 | 柒槿levana 2026-03-01 | 7/350 |
|
|---|---|---|---|---|
|
[考研] 材料085600 303求調(diào)劑 +6 | 1bygone 2026-03-04 | 6/300 |
|
|
[考研] 274求調(diào)劑 +8 | 一個(gè)學(xué)習(xí)者 2026-03-04 | 8/400 |
|
|
[基金申請(qǐng)]
|
Doma 2026-03-01 | 8/400 |
|
|
[考研] 武理材料工程302調(diào)劑 +3 | Doleres 2026-03-03 | 6/300 |
|
|
[考研] 331求調(diào)劑 +3 | zzZ&zZ 2026-03-03 | 3/150 |
|
|
[考研] 085600求調(diào)劑 +4 | LRZZZZZZ 2026-03-02 | 6/300 |
|
|
[考研] 291求調(diào)劑 +4 | Afy123456 2026-03-03 | 7/350 |
|
|
[考研] 298求調(diào)劑一志愿中海洋 +3 | lour. 2026-03-03 | 3/150 |
|
|
[考研] 課題組接收材料類調(diào)劑研究生 +6 | gaoxiaoniuma 2026-02-28 | 9/450 |
|
|
[考研] 307求調(diào)劑 +6 | wyyyqx 2026-03-01 | 6/300 |
|
|
[考研] 271求調(diào)劑 +4 | Ricardo1113 2026-03-02 | 4/200 |
|
|
[考研] 288求調(diào)劑 +3 | 少71.8 2026-03-02 | 5/250 |
|
|
[考研] 11408,學(xué)碩276求調(diào)劑 +3 | 崔wj 2026-03-02 | 5/250 |
|
|
[考研] 272求調(diào)劑 +9 | 材紫有化 2026-02-28 | 9/450 |
|
|
[考研] 085600材料工程一志愿中科大總分312求調(diào)劑 +9 | 吃宵夜1 2026-02-28 | 11/550 |
|
|
[考研] 303求調(diào)劑 +5 | 今夏不夏 2026-03-01 | 5/250 |
|
|
[考博] 誠(chéng)招農(nóng)業(yè)博士 +3 | 心欣向榮 2026-02-28 | 3/150 |
|
|
[論文投稿]
Optics letters投稿被拒求助
30+3
|
luckyry 2026-02-26 | 4/200 |
|
|
[考研] 307求調(diào)劑 +4 | 73372112 2026-02-28 | 6/300 |
|