Many thanks to all who replied. The best scheme seems to be to add the new
waters into the main molecule and then make use of the options to renumber them
and change the chain ID later on. This has the added advantage of avoiding the
situation where, if you are not careful with the 'Place atom
Dear Jon,
when you place an atom at the screen pointer, there is no symmetry that Coot
would be able to use. You need to tell Coot. One way is to merge it with an
existing molecule that has a valid symmetry description. Another way is to
create a separate PDB file with the symmetry of your
Not a solution to your problem - just a way to avoid it.. I always put the
waters into the original file - you can always delete them or change the
occupancy if there is a clash..
Eleanor
On Tue, 30 Apr 2019 at 21:21, Jonathan Cooper <
0c2488af9525-dmarc-requ...@jiscmail.ac.uk> wrote:
> One
