24小时热门版块排行榜

返回列表

cuiqin0704

铜虫 (小有名气)

应助: 1 (幼儿园)
金币: 12.1
散金: 54
帖子: 78
在线: 53.2小时
虫号: 2186431
注册: 2012-12-14
专业: 生物化学

[求助] 求助，Zdock在线结果的分析已有1人参与

在线进行了Zdock后，输出的结果很多数据不知道代表的什么意思？如下面数据，每一列代表的什么意思啊？
MET376
108    1.2    1
-2.617994    1.554776       0.100351
2.380392       2.500101       -0.120466
lig.job57584.bl.pdb    -9.469  21.390  0.478
rec.job57584.bl.pdb    7.098 5.728 27.139
0.000000       1.413347       -1.339188    90    94    98    183.595
-0.261799    1.135834       -1.431087    88    96    100    179.319
-0.261799    1.325504       -1.671296    87    97    101    174.529
0.785398       2.104282       -0.813972    92    84    100    174.257
0.261799       2.104282       -0.813972    90    88    100    172.606
0.523599       2.187132       -0.479875    91    88    98    166.954
-0.261799    1.413347       -1.339188    88    97    100    165.034
0.523599       1.982574       -1.115518    91    85    102    164.860
0.523599       2.104282       -0.813972    91    86    100    163.647
-2.879793    1.506530       1.988858       88    96    101    160.265
0.261799       2.187132       -0.479875    91    89    98    159.967
0.523599       1.128190       -2.288622    92    87    5    156.613
0.261799       2.343981       -1.040456    90    86    102    156.279
0.000000       1.721184       -0.153948    92    88    98    156.124
-0.261799    2.247462       0.191623       94    94    95    155.636
0.261799       1.909857       -0.381669    91    88    98    154.346

回复此楼

» 猜你喜欢

同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗已经有6人回复
依托企业入选了国家启明计划青年人才。有无高校可以引进的。已经有6人回复
依托企业入选了国家启明计划青年人才。有无高校可以引进的。已经有10人回复
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）已经有9人回复
有院领导为了换新车，用横向课题经费买了俩车已经有10人回复
遇见不省心的家人很难过已经有24人回复
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性已经有6人回复
酰胺脱乙酰基已经有13人回复
有时候真觉得大城市人没有县城人甚至个体户幸福已经有10人回复

» 本主题相关价值贴推荐，对您同样有帮助:

1楼 2014-05-28 14:47:21

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

zhangmao511

铁虫 (小有名气)

应助: 2 (幼儿园)
金币: 33
红花: 2
帖子: 136
在线: 29.7小时
虫号: 2553312
注册: 2013-07-19
性别: GG
专业: 蛋白质组学

【答案】应助回帖

Header lines: The first five lines (four lines for the original ZDOCK file format) provide the names of the input pdb files, as well as parameters for the initial positioning of the structures.

The first line is the size N of the NxNxN grid used in the docking, the spacing between grid cells (always 1.2 A), and whether the receptor or ligand was fixed during docking (0 = receptor, 1 = ligand).
The next line gives the initial rotation of the receptor in Euler angles.
The next line is the initial rotation of the ligand in Euler angles (this is non-zero if the seed is set using "-S seed" in the command line).
The next line is the receptor file, followed by its initial translation (x, y, z) to center.
The next line is the ligand file, followed by its initial translation (x, y, z) to center.
Prediction lines: After the header lines, each line describes a rotation and translation for the ligand with respect to its initial positioning.

The first three columns are the Euler angles (in radians) for rotating the ligand.
The next three columns are the grid positions describing the translation of the ligand with respect to its starting point.
The final column is the ZDOCK score (see the references for more on the ZDOCK scoring function).

The predictions are sorted by ZDOCK score, with the predictions deemed better by ZDOCK found closer to the top of the file. The complexes generated by create.pl are numbered in this order as well (i.e. line number 6 provides complex.1, line number 7 provides complex.2, etc.).

赞一下