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
>>
>>
>>
>>
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>>
>>
>
>
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