Until the Coot bug is worked out, why not simply change the water molecule you want to be an ion into the atom you want it to be in the pdb file with a text editor?
-=pam On Oct 24, 2014, at 5:09 AM, Tim Gruene <[email protected]<mailto:[email protected]>> wrote: Dear Jeorge, from the second last thread, I guess you are using Coot 0.7.2? Apparently this is a bug that you get around by updating Coot. Regards, Tim On 10/24/2014 10:13 AM, jeorgemarley thomas wrote: Hi All, First of all sorry to ask such simple question over here. I have added water molecule in my protein molecule in coot, also some Ba atom. I have added the water molecule manually as when it was added automatically the water added everywhere it find lobes of electron density. And also when I add Ba atom it gets converted as water molecule. Your kind help will be greatly appreciated Regards Jeorge -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A ------- ---- Pamela J. Focia, Ph.D. Research Assistant Professor Structural Biology Facility Manager Robert H. Lurie Comprehensive Cancer Center in the Departments of: Molecular Pharmacology and Biological Chemistry, Feinberg School of Medicine, and Molecular Biosciences, Northwestern University 303 E. Chicago Ave., S-215, Chicago 60611 o (312)503-0848 c (312)286-3274 f (312)503-5349 [email protected]<mailto:[email protected]>
