版块导航: 正在加载中...

登录注册

应《网络安全法》要求，自2017年10月1日起，未进行实名认证将不得使用互联网跟帖服务。为保障您的帐号能够正常使用，请尽快对帐号进行手机号验证，感谢您的理解与支持！

24小时热门版块排行榜

返回列表

贾春梅

金虫 (小有名气)

应助: 2 (幼儿园)
金币: 593.1
帖子: 236
在线: 130.3小时
虫号: 1413126

[交流] 关于topos的结果的分析

各位虫友们好，我想分析我的晶体的拓扑结构，请问最后得到的以下数据怎么分析啊，我想得到的格式如图
#################
1:C12 H16 Mn N O9
#################

Structure consists of molecules (ZD1). The composition of molecule is C24H16N2O8
Structure consists of molecules (ZE1). The composition of molecule is H2O
Structure consists of molecules (ZE2). The composition of molecule is H2O
Structure consists of molecules (ZE3). The composition of molecule is H2O
Structure consists of molecules (ZE4). The composition of molecule is H2O
Structure consists of molecules (ZF1). The composition of molecule is O
Structure consists of molecules (ZF2). The composition of molecule is O
Structure consists of molecules (ZG1). The composition of molecule is Mn
Topology for ZD1
--------------------
Atom ZD1 links by bridge ligands and has
Common edge with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 -0.4179 ( 0 0-1)    7.329A       2  24.73
ZG 1 0.7995 -0.0438 0.4179 ( 1 0 1)    7.329A       2  24.73
ZG 1 0.2995 0.5438 -0.0821 ( 0 0 0) 10.351A       2  25.27
ZG 1 0.7005 -0.5438 0.0821 ( 0-1-1) 10.351A       2  25.27
Topology for ZE1
--------------------
Atom ZE1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.252A       1 100.00
Topology for ZE2
--------------------
Atom ZE2 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.221A       1 100.00
Topology for ZE3
--------------------
Atom ZE3 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZG 1 0.2005 0.0438 0.5821 ( 0 0 0)    2.231A       1 100.00
Topology for ZE4
--------------------
Atom ZE4 doesn't link with bridge molecular ligands
Topology for ZF1
--------------------
Atom ZF1 doesn't link with bridge molecular ligands
Topology for ZF2
--------------------
Atom ZF2 doesn't link with bridge molecular ligands
Topology for ZG1
--------------------
Atom ZG1 links by bridge ligands and has
Common vertex with                               R(A-A)       f Total SA
ZE 2 0.2860 0.0417 0.4400 ( 0 0 0)    2.221A       1  16.80
ZE 3 0.1137 0.0651 0.7176 ( 0 0 0)    2.231A       1  15.66
ZE 1 0.1453 0.1013 0.4139 ( 0 0 0)    2.252A       1  15.81
Common edge with                               R(A-A)
ZD 1 0.5000 0.0000 1.0000 ( 0 0 1)    7.329A       2  25.59
ZD 1 -0.0000 -0.5000 0.5000 (-1-1 0) 10.351A       2  26.14
-------------------------
Structural group analysis
-------------------------

-------------------------
Structural group No 1
-------------------------
Structure consists of layers ( 1 0-1) with ZG2ZE6ZD

-------------------------
Structural group No 2
-------------------------
Structure consists of molecular complex groups ZE

-------------------------
Structural group No 3
-------------------------
Structure consists of molecular complex groups ZF

-------------------------
Structural group No 4
-------------------------
Structure consists of molecular complex groups ZF
Elapsed time: 54.27 sec.

360截图20130516172841765.jpg

回复此楼

» 猜你喜欢

» 本主题相关价值贴推荐，对您同样有帮助:

谁能教教我怎么对响应面的结果进行分析已经有30人回复
关于根据试验结果进行动力学分析的问题求助已经有14人回复
元素分析的结果求助已经有7人回复
SPSS分析结果解读已经有9人回复
Topos4.0软件分析MOFs拓扑实例已经有222人回复
用TOPOS分析拓扑时三连接配体的如何设置为中心原子已经有9人回复
请教正交试验结果分析中的问题已经有20人回复
请教 topos 符号分析已经有3人回复
主成分分析的结果不会解读…… 已经有4人回复
不解的问题，q-PCR结果分析。已经有6人回复
用Diamond画好拓朴结构后如何在TOPOS中分析他的符号呢？已经有9人回复
NMR和MS分析出来的结果不一致已经有17人回复
ELISA的结果分析及相关软件已经有11人回复
用SPSS分析的结果分析已经有10人回复
【求助】求助关于流式细胞的细胞周期检测结果分析已经有7人回复
【求助】这个正交试验的方差分析结果是什么意思？已经有19人回复
【求助】topos 分析问题已经有11人回复
【求助】discovery studio进行libdock后的结果分析已经有5人回复

» 抢金币啦！回帖就可以得到:

查看全部散金贴

1楼 2013-05-16 17:29:26

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

简单回复

haixiawu2楼

2013-05-24 02:13 回复

贾春梅: 金币+1 2013-06-07 09:51:49

相关版块跳转我要订阅楼主贾春梅的主题更新