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[求助]
求救Rosetta dock!!!小弟銀兩有限，跪謝��！
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各位蟲友！ 我在Rosetta上提交ligand-reception.pdb, 官網(wǎng)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! 請問用Surflexdock怎么解決這個問題 ��？？如何把結(jié)合上的配體也命名成一條 鏈��？？萬分感謝各位了！��！ 官網(wǎng)tutorial說了這么幾句話，費解�。� 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 體恰好就是7個aa，會不會backbone conformation改變��？實在抱歉各位大 俠，不是學藥化的傷不起�。�！ [ 發(fā)自手機版 http://www.gaoyang168.com/3g ] |
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5樓2013-01-09 00:29:57
2樓2013-01-07 08:06:25
送鮮花一朵 |
謝謝！敢問下前輩：我用的是Rosetta 網(wǎng)頁版，http://rosettaserver.graylab.jhu.edu/docking/submit是不是必須裝Rosetta才能進Rosetta flexpep模塊？謝謝前輩~！�。� |
3樓2013-01-07 15:54:41
4樓2013-01-08 08:11:18
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