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[求助]
求高人指点这些A类错误该如何解决 已有1人参与
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PLAT211_ALERT_2_A ADP of Atom C40 is N.P.D. or (nearly) 2D ... Please Check PLAT213_ALERT_2_A Atom N1 has ADP max/min Ratio ..... 6.3 prolat PLAT213_ALERT_2_A Atom N3 has ADP max/min Ratio ..... 10.8 prolat PLAT222_ALERT_3_A Large Non-Solvent H Uiso(max)/Uiso(min) ... 10.0 Ratio PLAT234_ALERT_4_A Large Hirshfeld Difference O18 -- C39 .. 0.54 Ang. And 2 other PLAT234 Alerts PLAT234_ALERT_4_A Large Hirshfeld Difference N1 -- C31 .. 0.55 Ang. PLAT234_ALERT_4_A Large Hirshfeld Difference N1 -- C33 .. 0.46 Ang. PLAT241_ALERT_2_A High Ueq as Compared to Neighbors for ..... N1 Check PLAT241_ALERT_2_A High Ueq as Compared to Neighbors for ..... N3 Check Alert level B PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by .. 18.60 Check PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) Range 10.0 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for O17 -- C31 .. 10.0 su And 2 other PLAT230 Alerts PLAT230_ALERT_2_B Hirshfeld Test Diff for N1 -- C34 .. 11.7 su PLAT230_ALERT_2_B Hirshfeld Test Diff for N3 -- C40 .. 9.5 su PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... O18 Check And 2 other PLAT242 Alerts PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C31 Check PLAT242_ALERT_2_B Low Ueq as Compared to Neighbors for ..... C39 Check PLAT430_ALERT_2_B Short Inter D...A Contact O13 .. O16 .. 2.72 Ang. PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 195 Ang3 其中第一个我尝试了ISOR 0.1 0.2 C40，还是没有解决。求高人指点，麻烦尽量详细点。 |
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