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, [log in to unmask] 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:[log in to unmask]]
> Gesendet: Mittwoch, 1. August 2018 15:00
> An: [log in to unmask]; 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, [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://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
|