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shengrun

捐助贵宾 (小有名气)

[交流] 【求助】关于限制精修

解结构时我用了
omit -3 54
delu
dfix
命令
审稿人要我在cif文件中说明
不知道怎么写呢?求助!
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ljmmarise

至尊木虫 (著名写手)

shengrun(金币+2): 2010-08-17 19:14:26
shengrun(金币+1): 2010-10-14 17:33:20
引用回帖:
Originally posted by shengrun at 2010-08-17 18:23:21:
解结构时我用了
omit -3 54
delu
dfix
命令
审稿人要我在cif文件中说明
不知道怎么写呢?求助!

The carbon-bound H atoms were placed at calculated positions (C—H = 0.93 A ° ) and refined as riding, with Uiso(H) = 1.2Ueq(C). The amide and amine H atoms were located in a difference Fourier map and were refined with the distance restraint N—H = 0.85 (1) A ° ; their Uiso values were refined.

你可以参考这样的话写在cif文件当中
2楼2010-08-17 18:35:40
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jiangqibai

木虫 (正式写手)

赞楼上!学习!

shengrun(金币+1): 2010-10-14 17:33:23
赞楼上!学习!
3楼2010-08-17 19:39:41
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