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【奖励】 本帖被评价4次,作者xk6891增加金币 3.25
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xk6891

至尊木虫 (著名写手)


[资源] 【原创】一种获取有机分子原子位置的方法(欢迎拍砖)

С???????????????????????????????????????λ??????

?????Щ?л???????????λ???????????????????????????С??????????????????CCDC?????????????????????????
?????????CCDC??????????????????MS
1???CCDC??MS???????????????????????????????????CCDC?????doc??http://good.gd/718853.htm ???:CCDC????????????MyConQuest?????????С?????????λ?á????????????????????csd1?????????????????????Python???????pythonw.exe??lib???????csdy.py???????λ??????pythonw.exe?????????С?????????????????http://iask.sina.com.cn/u/113394 ... ???????????????
2??search????????????file?е?Export Entries as???????棬?????????cif???,??????????????·??????????C:\Documents and Settings\Administrator\csds_data??
3??????MS?????cif????????????????????MS???OK????????????е???????????adjust hydrogen?????????????file????Export???Export as?
Crystallographic Information????????
CCDC???????????????????????????????????????????????????????????????????λ???????????adjust???????????????????
?????????????????????????????λ???
??????:dnd:

[ Last edited by xk6891 on 2010-11-16 at 09:17 ]
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luoqiquan

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★★★★★ 五星级,优秀推荐

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4楼2010-09-27 16:23:23
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luoqiquan

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dongdong3881(金币+1):多谢参与 2010-09-29 09:08:52
引用回帖:
Originally posted by xk6891 at 2010-09-27 21:12:44:

谢谢版主,但是这种方法对不对,提些意见,谢谢啦呵呵

first, i am sorry. but i really think it is a good idea, i give you five stars.
7楼2010-09-27 22:09:22
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