Maia Cherney wrote:
Hi Paul,the format of the file got screwed. I am resending the file in the attachment.I would like to repeat the description of the problem.There is a difference in recording of water molecules in coot and in phenix. The example is given in the attached pdb file.
Certainly HETATM is correct for waters. Ancient Coots used to write ATOM. I'd be surprised if recent Coots don't add waters as HETATMs and don't strip the TER before adding a water.
Paul.
