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dev-572 i gave P 2 21 21 data to autosol - seems OK until the .pdb's get written out - they have P 21 21 2 instead. will this be of any consequence - or should i use a standard setting? -Bryan
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I suggest re-indexing your data to P 21 21 2 (the reindex matrix should be
abc -> bca) during your scaling step in HKL2000. If you use Mosflm, you can
reindex in Scala inside CCP4.
On Tue, Nov 9, 2010 at 7:10 PM, Bryan Lepore
dev-572
i gave P 2 21 21 data to autosol - seems OK until the .pdb's get written out - they have P 21 21 2 instead. will this be of any consequence - or should i use a standard setting?
-Bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Jim Fairman, Ph D. Post-Doctoral Fellow National Institutes of Health - NIDDK Lab: 1-301-594-9229 E-mail: [email protected] [email protected]
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Yes I apologize, it is Reindex: http://www.ccp4.ac.uk/html/reindex.html
On Tue, Nov 9, 2010 at 7:25 PM, Bryan Lepore
On Tue, Nov 9, 2010 at 7:17 PM, Jim Fairman
wrote: you can reindex in Scala inside CCP4.
huh, i didn't know scala can reindex data
AFAIK, pointless, reindex will not produce nmoi output anyways.
-bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
-- Jim Fairman, Ph D. Post-Doctoral Fellow National Institutes of Health - NIDDK Lab: 1-301-594-9229 E-mail: [email protected] [email protected]
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Pointless reindexes, not Scala On 10 Nov 2010, at 00:25, Bryan Lepore wrote:
On Tue, Nov 9, 2010 at 7:17 PM, Jim Fairman
wrote: you can reindex in Scala inside CCP4.
huh, i didn't know scala can reindex data
AFAIK, pointless, reindex will not produce nmoi output anyways.
-bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
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Hi Bryan, No this is very bad. We have just made a number of changes in how space groups are written to PDB and MTZ files and this suggests I have missed something important. For the moment use a standard setting. (As you sent me off-list your files I can check this non-standard setting here and get back to you). All the best, Tom
dev-572
i gave P 2 21 21 data to autosol - seems OK until the .pdb's get written out - they have P 21 21 2 instead. will this be of any consequence - or should i use a standard setting?
-Bryan _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb
participants (4)
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Bryan Lepore
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Jim Fairman
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Phil Evans
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Thomas C. Terwilliger