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小阳0725银虫 (小有名气)
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[求助]
CHECkcif 报告好多错误。。。。。已有1人参与
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Alert level A PLAT602_ALERT_2_A VERY LARGE Solvent Accessible VOID(S) in Structure ! Info PLAT971_ALERT_2_A Check Calcd Resid. Dens. 2.86A From O0BA 3.83 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 1.55A From O3 -3.88 eA-3 PLAT972_ALERT_2_A Check Calcd Resid. Dens. 0.95A From Mo -3.62 eA-3 PLAT976_ALERT_2_A Check Calcd Resid. Dens. 0.79A From O7BA -3.07 eA-3 Alert level B PLAT082_ALERT_2_B High R1 Value .................................. 0.16 Repor PLAT084_ALERT_3_B High wR2 Value (i.e. > 0.25) ................... 0.40 Repor PLAT212_ALERT_2_B ADP of Atom O0AA is N.P.D. or (nearly) 2D . Please Check PLAT220_ALERT_2_B Non-Solvent Resd 1 C Ueq(max)/Ueq(min) Range 7.3 Ratio PLAT242_ALERT_2_B Low ’MainMol’ Ueq as Compared to Neighbors of C2 Check PLAT242_ALERT_2_B Low ’MainMol’ Ueq as Compared to Neighbors of C5CA Check PLAT342_ALERT_3_B Low Bond Precision on C-C Bonds ............... 0.04087 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O7CA --H7CA . Please Check PLAT420_ALERT_2_B D-H Without Acceptor O7CA --H7CB . Please Check PLAT420_ALERT_2_B D-H Without Acceptor O1DA --H1DA . Please Check PLAT420_ALERT_2_B D-H Without Acceptor O1DA --H1DB . Please Check PLAT971_ALERT_2_B Check Calcd Resid. Dens. 2.87A From O0BA 2.65 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 0.76A From C0FA -3.48 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 1.80A From C1FA -3.41 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 0.80A From Mo3 -3.34 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 1.89A From C -3.29 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 0.79A From O7BA -3.07 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 2.04A From C4CA -3.03 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 2.08A From C7CA -3.00 eA-3 PLAT972_ALERT_2_B Check Calcd Resid. Dens. 0.97A From Mo5A -2.99 eA-3 PLAT975_ALERT_2_B Check Calcd Resid. Dens. 0.85A From O7BA 1.84 eA-3 PLAT976_ALERT_2_B Check Calcd Resid. Dens. 0.87A From O9EA -1.96 eA-3 |
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小雨0114
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2楼2017-11-27 14:46:53