Hi Herman, We can run it stand alone, (i.e. "which xpand” points to an exe that runs) but we have the Uppsala suite installed on our machine.
Cheers, Andrew > On 2 Aug 2018, at 07:38, herman.schreu...@sanofi.com wrote: > > 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 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1