Hi Ming, On 26/03/14 18:40, Ming Sun wrote:
Thanks for the reply. Yes. I opened several different pdb models in Coot at the same time.
ok
Could it be possible that after align_and_mutate, that specific atom has duplicate coordinate with atoms in other pdb model.
Yes, after some consideration, I reluctantly agree that it's quite likely that Coot made the error in the model as a result of align_and_mutate.
This also is a must-fix bug.
If it's the case, I will use only one model at one time and go to the other one later.
That might help, but I suspect that it won't sadly. It seems that I will have to bash on the alignment code (again!). Sorry this is not more robust.
Thanks, Paul.
