得一晶体，check后出现以下AB类错误，请问这属于什么问题，怎么修改啊，急啊
Alert level A
PLAT342_ALERT_3_A Low Bond Precision on C-C Bonds ............... 0.1087 Ang
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 272 A**3
Alert level B ABSMU01_ALERT_1_B The ratio of given/expected absorption coefficient lies outside the range 0.95<>1.05
Calculated value of mu = 1.489 Value of mu given = 1.593
PLAT051_ALERT_1_B Mu(calc) and Mu(CIF) Ratio Differs from 1.0 by . 6.56 Perc.
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.6 Ratio
PLAT410_ALERT_2_B Short Intra H...H Contact H3B .. H19A .. 1.85 Ang.
回复此楼
+2/248
点击这里搜索更多相关资源