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bzhao2008

木虫 (正式写手)

[求助] 急求B类错误

如下所示,请大牛们,帮忙看看下,谢谢

Alert level B
PLAT094_ALERT_2_B Ratio of Maximum / Minimum Residual Density ....      5.04
PLAT420_ALERT_2_B D-H Without Acceptor O1W - H1W2 ... ?
PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of .   180 A**3
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yytsnake

至尊木虫 (职业作家)

【答案】应助回帖

bzhao2008(金币+2): 2011-11-23 11:11:21
lijunjie84: 谢谢回帖交流! 2011-11-23 12:08:30
第一个好象是说精修不到位,正负残留峰的双值应该接近1。
第二个好象说是没形成H键
2楼2011-11-23 09:45:01
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triiawypm

银虫 (正式写手)

【答案】应助回帖

bzhao2008(金币+1): 2011-11-23 11:29:35
lijunjie84: 谢谢回帖交流! 2011-11-23 12:08:38
第三个错误,你是不是用Squeeze把溶剂分子删掉了?需要在CIF文件里面说明一下,应该就不是B类错误了。
3楼2011-11-23 11:12:56
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