[ccp4bb] Dock two substrates into enzyme

2014-03-25 Thread Haiying Bie
Good morning, Everyone, We are trying to dock two small molecule ligands into a big active site of the enzyme. We tried to dock two simultaneously using Autodock Vina, but one always got kicked out. Is there a way we can dock both ligands? Thanks for your suggestions. Best, Haiying

[ccp4bb] Question: best program for modelling point mutant structure

2013-12-02 Thread Haiying Bie
program for this case? Thanks a lot. Haiying

Re: [ccp4bb] High Rwork/Rfree values

2013-06-25 Thread Haiying Bie
pect the P22121 solution is wrong. I have three domains in the structure, maybe the domain is swapped? Maybe I should start to grow better quality crystals in order to solve it. Thank you. Haiying On Mon, Jun 24, 2013 at 9:23 AM, Phil Jeffrey wrote: > Haiying, > > As far as I can tell

[ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Haiying Bie
there a way I can transform one to the other? Thank you. Best, Haiying

[ccp4bb] High Rwork/Rfree values

2013-06-24 Thread Haiying
very similar. Is there a way I can transform one to the other? Thank you. Best, Haiying