-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1
Dear Maggie,
in addition to what others explained, data integration does not depend
on the space group. It only depends on the Laue group, and P21212 and
P212121 belong to the same Laue group. You would see no difference at
all in reprocessing, and in
otes on what you did).
--
*From:* CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Vikrant
Upadhyay
[vikrant192...@gmail.com]
*Sent:* Wednesday, November 06, 2013 5:13 PM
*To:* CCP4BB@JISCMAIL.AC.UK
*Subject:* Re: [ccp4bb] switc
rd [CCP4BB@JISCMAIL.AC.UK] on behalf of Vikrant Upadhyay
[vikrant192...@gmail.com]
Sent: Wednesday, November 06, 2013 5:13 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] switching space group
Hi Maggie,
you can re-process your data using XDS and can provide the desired space group
in the XD
Hi Maggie,
you can re-process your data using XDS and can provide the desired space group
in the XDS.INP file. It won't take much time.
Vikrant
Vikrant Upadhyay
Postdoctoral associate
Dr. Crina Nimigean's lab, A-1050
Department of Anesthesiology
Weill Cornell Medical College
525 East 68th Stre
Hi Maggie
echo symm P212121 | mtzutils HKLIN in.mtz HKLOUT out.mtz
should do the trick.
Cheers
-- Ian
On 6 November 2013 18:13, MAGGIE wrote:
> Hi,
>
> I have a structure which should have space group P212121, but it has been
> processed to P21212. It can not be solved and refined.
Hi,
I have a structure which should have space group P212121, but it has been
processed to P21212. It can not be solved and refined. Right now I do not
have HKL2000, but I need change the space group to P212121. Is there a way
for me to do this using CCP4?
Thank you,
Maggie
