I am for it also. It is a god idea!!
Garib
On 9 Nov 2007, at 13:56, Ian Tickle wrote:
> I like it!
>
> -- Ian
>
>> -----Original Message-----
>> From: [log in to unmask]
>> [mailto:[log in to unmask]] On Behalf Of Eleanor Dodson
>> Sent: 09 November 2007 13:51
>> To: Phil Evans
>> Cc: [log in to unmask]
>> Subject: Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's
>>
>> As I often say!!! The mtz format should carry point group and
>> alternate
>> SGs - then be upgraded when youknow the correct SG..
>>
>> Eleanor
>>
>> Phil Evans wrote:
>>> It just picks the first in the list, to store in the output
>> MTZ file,
>>> which can only handle one (92 < 96)
>>> Phil
>>>
>>>
>>> On 8 Nov 2007, at 22:26, Bryan W. Lepore wrote:
>>>
>>>> when pointless (1.2.0) finds enantiomorphic SG's, what is the
>>>> criterion for 'Selecting' one over the other?
>>>>
>>>> e.g. i ran pointless on some tetragonal data, and the
>> enantiomorphs
>>>> SG92/SG96 are selected as strong candidates
>>>>
>>>> Spacegroup TotProb SysAbsProb Reindex
>> Conditions
>>>> <P 41 21 2> ( 92) 0.956 0.956 00l:
>>>> l=4n, h00: h=2n (zones 1,2)
>>>> <P 43 21 2> ( 96) 0.956 0.956 00l:
>>>> l=4n, h00: h=2n (zones 1,2)
>>>>
>>>> ... then pointless reports :
>>>>
>>>> Selecting space group P 41 21 2 as solutions are enantiomorphic
>>>> Best Solution space group P 41 21 2
>>>>
>>>> ... is that b/c pointless can only report one, and SG92
>> came up first?
>>>>
>>>> -bryan
>>>
>>>
>>
>>
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