[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] potassium ion

fredrik wrote:
I have a template with a potassium ion and I'm trying to use it in my modelling. What I can see from the manual and file code I should use: 
% in the .ali
MK as atom name in the .pdb
K as residue name in the .pdb
ATOM instead of HETATM in the .pdb
This how ever doesn't work. I have tried to use e.g. zinc ion and that work (z, ZN2, ZN2 resp.).
The easiest solution is to treat the ion as a BLK residue. See http://salilab.org/modeller/FAQ.html#16 

	Ben Webb, Modeller Caretaker
--
             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage