| 查看: 1388 | 回复: 8 | ||
[求助]
求救Rosetta dock!!!小弟银两有限，跪谢！！
|
|
各位虫友！ 我在Rosetta上提交ligand-reception.pdb, 官网提示：Not enough chains in submitted protein! [At least two chains should be present] Invalid docking partners string, must be list of chains in correct order, without repetion separated by underscore! 请问用Surflexdock怎么解决这个问题 啊？？如何把结合上的配体也命名成一条 链啊？？万分感谢各位了！！！ 官网tutorial说了这么几句话，费解啊： 1、when creating a combined single input file with both partners, place a TER linebetween the two paners. RosettaDock is that protein backbone 2、conformations typically do not change much upon association. This holds for many proteins, but not all. If you believe that the backbone of one of your partners is flexible, you should be cautious with the results. docking of a short, flexible peptide (~10 residues) is not likely to work, since a peptide lacks the tertiary interactions which stabilize full-size domains (75-250 residues). 看了半天也不知在pdb哪里加TER，而且配 体恰好就是7个aa，会不会backbone conformation改变啊？实在抱歉各位大 侠，不是学药化的伤不起啊！！ [ 发自手机版 http://muchong.com/3g ] |
回复此楼
2楼2013-01-07 08:06:25
送鲜花一朵 |
谢谢！敢问下前辈：我用的是Rosetta 网页版，http://rosettaserver.graylab.jhu.edu/docking/submit是不是必须装Rosetta才能进Rosetta flexpep模块？谢谢前辈~！！！ |
3楼2013-01-07 15:54:41
4楼2013-01-08 08:11:18
5楼2013-01-09 00:29:57
6楼2013-01-09 00:30:41
7楼2013-01-09 08:37:03
~~~~或者前辈不方便加我也行~~~693324738，小弟谢过前辈！！！ 8楼2013-01-09 10:01:06
送鲜花一朵 |
前辈，请看下图~！！！ pic.jpg(10.91KB) http://kuai.xunlei.com/d/LnU4Dd8FABjtUAQA8ab?p=130497 我对接的多肽配体虽然改成了B链，却怎么也连不起来！如图： pic2.jpg(14.23KB) http://kuai.xunlei.com/d/LnU4DeIFUhjtUAQAf7a?p=130497 不知怎么解决  ？！真心求教版主前辈，如果可以希望能Q上指教~如果不方便回帖或邮箱也行，真心感谢前辈~~！ |
9楼2013-01-09 15:15:54
