Dear Kay, I have looked at XPAND and it looks like it is part of the O-package. Do you know if it can also be used stand-alone?
Best, Herman -----Ursprüngliche Nachricht----- Von: Kay Diederichs [mailto:kay.diederi...@uni-konstanz.de] Gesendet: Mittwoch, 1. August 2018 15:00 An: CCP4BB@JISCMAIL.AC.UK; Schreuder, Herman /DE Betreff: [EXTERNAL] Re: identifying bound ions Dear Herman, the "water scrutinizer" option of XPAND does this -. https://urldefense.proofpoint.com/v2/url?u=http-3A__www.msg.ucsf.edu_local_programs_ono_manuals_xpand-5Fman.html-23S7&d=DwIFaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=xDNvO2p9KWi88plMQdKeBus0tAym2doLwUPdQNfYRG8&s=sEx3IqjhUIdjbiqizdljtA1eTlNHUhuaNKMHipOp6L4&e= 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://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwIFaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=xDNvO2p9KWi88plMQdKeBus0tAym2doLwUPdQNfYRG8&s=7Fy9spg-ZpKgzdg0fT25uD-PzjkXI5bt48_hAD-zTSo&e= > > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
