ntonio.lla...@usc.es
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-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Phil Evans
Sent: Wednesday, May 21, 2014 9:07 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] C2/I2 space groups
I2 and C2 are different
I2 and C2 are different settings of the same group. The official IUCr
convention is to use the one which gives the beta angle closer to 90 degrees.
As far as I know all programs should now be able to use the I2 setting, but if
it worries you, you can reindex to C2
Phil
On 21 May 2014, at 17:54
If you do not specify that you prefer C2, pointless change to I2. This is
sometimes odd, for instance when running molrep or shelx (hkl2map) afterwards
Armando
I am out of the lab
> El 21/05/2014, a las 18:54, Roberto Battistutta
> escribió:
>
> Dear All,
> a question about C2 and I2 space g
You can always re-index a monoclinic unit cell with beta greater than 120deg.
Usually the beta closer to 90deg is preferred, but either will work.
Bernie Santarsiero
On May 21, 2014, at 11:54 AM, Roberto Battistutta wrote:
> Dear All,
> a question about C2 and I2 space groups.
> Processing
Dear All,
a question about C2 and I2 space groups.
Processing a dataset, XDS output says C2, with dimensions 122.8, 56,9 81,5 and
beta 125.1°.
Aimless reindexes to I2 with 81.6, 56.9, 101.1 and 96.2°.
Phenix (refine) returns a warning "NOTE: non-standard setting used: I 1 2 1".
In the PDB there ar
