Dear Herman, the "water scrutinizer" option of XPAND does this -. http://www.msg.ucsf.edu/local/programs/ono/manuals/xpand_man.html#S7
best wishes, Kay On Tue, 31 Jul 2018 12:39:01 +0000, herman.schreu...@sanofi.com wrote: >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
