Hi All, 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 center on carbons, sometimes as far away as 45 Å! I've tried to change the overall weight and Lennard-Jones epsilon, and Geman-McClure alpha and I find no combination that keeps all waters within the density that they already are in. I'd be happy to provide a model and map to demonstrate this phenomenon. Our current work-around is to use R, but this is not ideal. If anyone has any idea how to fix this, we would greatly appreciate any advice.
Thank you! -David ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=COOT&A=1 This message was issued to members of www.jiscmail.ac.uk/COOT, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
