Hi Herman, out of the top of my head I think there is an option in Coot to check if the water is highly coordinated and might be an ion and I think there was also a function in Phenix to check for ions.
Cheers Christian <herman.schreu...@sanofi.com> schrieb am Di., 31. Juli 2018, 14:39: > Dear BB, > > > > I know it has been discussed some time ago, but a google search did not > come up with anything useful. > > > > I need a program which analyzes the bound waters and suggests whether a > particular water might be a chloride, calcium, sulfate, sodium or something > else. Preferably a program that can be run off-line (not a web server), but > if there is no choice, we will use a webserver as well. > > > > Thank you for your suggestions! > > Herman > > > > > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
