Re: [ccp4bb] arp/warp in p22121

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CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

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Subject: Re: anisotropic scaling in refmac versions
From: "Nalam, Madhavi" Madhavi {- dot -} Nalam {- at -} UMASSMED {- dot -} EDU
Date: 2007-09-19

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Subject: Re: arp/warp in p22121
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2007-09-19

Subject: Re: arp/warp in p22121
From: Airlie McCoy ajm201 {- at -} CAM {- dot -} AC {- dot -} UK
Date: 2007-09-19

>The problem is specifically that ARP/wARP *doesn't* support the IUCr
>convention as given in IT (Vol. A, >= 1983 edition, Table 9.3.4.1, p.758
>in 5th ed.) regarding choice of cell in primitive orthorhombic space
>groups, and I suspect in centred monoclinic ones also. AFAIK ARP/wARP
>and pointless are the only two CCP4 programs that currently don't fully
>support the IUCr convention

Phaser doesn't "support" the IUCr convention, and if it was used for the
original MR in this case (I don't know whether it was or not), then it
would have caused the "problem". We have had user requests to change the
output to the IUCr convention, but other people get confused if the axes
are permuted. So the choice will be made an output option - Frank von Delft
suggested the keyword "IUCR [ON/OFF]"! Vote for your choice of default
now...

Airlie McCoy

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CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

Previous message:
Subject: Re: anisotropic scaling in refmac versions
From: "Nalam, Madhavi" Madhavi {- dot -} Nalam {- at -} UMASSMED {- dot -} EDU
Date: 2007-09-19

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Subject: Re: arp/warp in p22121
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2007-09-19