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 : [log in to unmask]
> > 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
|