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[求教]cif 一个B类错误。
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cif 检测下来有如下一个B类错误。 Alert level B PLAT341_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 16 PLAT341 -------------------------------------------------------------------------------- PLAT341 Type_3 Check Bond Precision for C-C in Structures (19 < Z(max) < 40) -------------------------------------------------------------------------------- The average su for X-Y bonds is tested (named bond-precision). X-Y will generally be C-C bonds, unless there are none. In the last case the su's of the lowest element numbers are considered (excluding hydrogen). There are three test ranges: one for structures with the largest element Z < 20, one for the largest Z in the range 20 to 39 and one for structures with Z(max) 40 or higher (_340, _341 and _342 respectively) 不知是什么导致的。 |
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xi2004
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4楼2009-09-06 21:37:46
xi2004
至尊木虫 (职业作家)
- CMEI: 10
- 应助: 125 (高中生)
- 金币: 16769.9
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- 红花: 221
- 帖子: 4161
- 在线: 436.9小时
- 虫号: 354550
- 注册: 2007-04-24
- 专业: 结构化学
2楼2009-09-06 21:29:20
3楼2009-09-06 21:30:54
5楼2009-09-06 21:47:09