Re: [COOT] Wild refinement of waters

2021-06-03 Thread Paul Emsley
On Thu, 2021-06-03 at 09:02 -0700, Philip Kiser wrote: > Thank you for spotting the problem and introducing the new restraint. I have > to say that it was easy to get in the > habit of creating poorly placed water molecules when filling difference map > peaks as the prior refinement method for >

Re: [COOT] Wild refinement of waters

2021-06-03 Thread Philip Kiser
Hi Paul, Thank you for spotting the problem and introducing the new restraint. I have to say that it was easy to get in the habit of creating poorly placed water molecules when filling difference map peaks as the prior refinement method for isolated waters would just move them into the nearby

Re: [COOT] Wild refinement of waters

2021-06-03 Thread Paul Emsley
On Wed, 2021-06-02 at 15:56 +0100, Paul Emsley wrote: > On Tue, 2021-06-01 at 20:45 +0100, David M Dranow wrote: > > Does anyone have a decent set of refinement parameters for Coot 0.9.5 in > > linux? My colleagues and I find that using > > the "r" shortcut causes most waters to fly off and