On Mon, Nov 29, 2010 at 02:44:01PM +0000, Frederic VELLIEUX wrote: > I can't see any problem switching from Refmac to Phenix refinement. You just > provide Phenix with the current model (if you have refined using TLS there is > an "additional" > step, using I believe tlsanl to generate the "proper" PDB file as you would > for data deposition with the pdb), the initial mtz file containing F SIGF > FreeRFlag. That's basically > it. But you have to make sure that refmac5 uses the same integer for flagged reflections as refmac does. If I remember correctly, the default in the ccp4i gui for refmac is 0 or 1 (out of usually 0-19 for 5% of flagged relfections), but I guess, phenix uses the same in order not to make the transition too difficult...
Tim > > Fred. > > > Message du 29/11/10 15:31 > > De : "Jyotica Batra" > > A : CCP4BB@JISCMAIL.AC.UK > > Copie à : > > Objet : [ccp4bb] Rfrees > > > > Dear All > > > > Currently I'm refining my model in refmac5, so is there a way I can switch > > to phenix.refine by retaining the same R-frees, I have from refmac? Any > > suggestions at this > time would be helpful! > > > > Thanks in advance! > > > > Thanks! > > Jyotica > > -- -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen phone: +49 (0)551 39 22149 GPG Key ID = A46BEE1A
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