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Re: [ccp4bb] arp/warp in p22121
 

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CCP4bb <-- 2007 <-- September 2007 <-- 18 September 2007
Previous message:
Subject: Re: arp/warp in p22121
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-09-18 		Next message:
Subject: Re: pymol movies scripts
From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2007-09-18


Subject: Re: arp/warp in p22121
From: Victor Lamzin victor {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-09-18
Dear Florian,

ARP/wARP supports 65 space groups where proteins crystallise and it
indeed uses the Hermann-Mauguin convention as given in the International
Tables. The space group P22121 (number 3018 in the CCP4 symop.lib) is
not supported by ARP/wARP. The standard for it would be number 18,
P21212. The easiest is to re-index your data.

The error message 'cannot extract asymmetric unit limits' should then
also disappear.

Victor

PS. Actually, Tassos has already replied while I was typing this message.


Florian Schmitzberger wrote:
> Dear All,
>
> I am trying to build a molecular replacement model in arp/warp in space group P22121.
> Refmac alone seems to be fine with refining the model in P22121; but arp/warp fails, as far
> as I can see at the first Refmac refinement stage. In the log-file it says "this space group is
> not supported".
>
> I am wondering whether arp/warp needs the Hermann-Mauguin convention space group
> P21212. I suppose I will need to reindex in P21212 in order to use arp/warp? (the diffraction
> data were indexed in XDS, scaled in SCALA, and then run through CAD to change the space
> group from P222 to P22121). I am using arp/warp via the ccp4i interface.
>
> Also, arp/warp gives the following message when I load the mtz file "cannot extract
> arp/warp asymmetric unit limits, the job will fail if run." (i did run arp/warp successfully with
> other mtz-files).
>
> Thank you in advance for any comments!
>
> Florian
>
>
>

CCP4bb navigation

CCP4bb <-- 2007 <-- September 2007 <-- 18 September 2007
Previous message:
Subject: Re: arp/warp in p22121
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-09-18 		Next message:
Subject: Re: pymol movies scripts
From: Roger Rowlett rrowlett {- at -} MAIL {- dot -} COLGATE {- dot -} EDU
Date: 2007-09-18


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