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, [log in to unmask] 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
|