Hi all, I'd like to be able to automatically remove modeled/refined water molecules that overlap regions of space that have been flagged as potential "blobs" of interest in an initial difference density map.
My questions are: 1) Can I get Coot to output to a file the coordinates it spits out when using the "Unmodeled blobs" validation tool? If not, is there a similar tool that can do this? 2) Is there a tool out there that can automatically remove water molecules within a region of space (i.e., remove all water molecules within 5A of coordinates x,y,z)? Many thanks of any help/suggestions!
