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 choi
Jonathan,
when you add a water molecule through "Place atom at Pointer..." change the
default option at the bottom of the popup window from "New molecule" to
your protein molecule. In this way water molecule will be placed directly
into your protein model and will be visible in symmetry mates.
вт,
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 t
One thing I have wondered about Coot is when you add new waters into the
structure and these go into a molecule called 'Pointer Atoms...', I have never
worked out how to get the symmetry mates of these newly inserted waters to
appear unless I eventually merge them into the same pdb file as the p
