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求助 check cif 问题
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晶体的cif check 后有下面的问题, 不知道如何解决,急需请高手指点啊! PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) ....... 11 PLAT213_ALERT_2_A Atom O5 has ADP max/min Ratio ............. 5.90 prola PLAT213_ALERT_2_A Atom O38 has ADP max/min Ratio ............. 8.40 prola PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for OW90 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O4 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O6 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O9 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O13 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O14 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O15 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O31 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for O38 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for W1 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for W2 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for W3 PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for W4 PLAT761_ALERT_1_A CIF Contains no X-H Bonds ...................... ? PLAT762_ALERT_1_A CIF Contains no X-Y-H or H-Y-H Angles .......... ? |
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hurx
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2楼2007-11-05 16:28:47
changlianze
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3楼2007-11-05 18:18:21
4楼2007-11-09 08:34:46