Re: [ccp4bb] Sulfate ion on 2-fold axis - Garib?

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From: "Bryan W {- dot -} Lepore" bryanlepore {- at -} MAIL {- dot -} UTEXAS {- dot -} EDU
Date: 2008-01-11

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Subject: Re: Sulfate ion on 2-fold axis - Garib?
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-11

Subject: Re: Sulfate ion on 2-fold axis - Garib?
From: Jie Liu jie {- at -} TRIMER {- dot -} MED {- dot -} CORNELL {- dot -} EDU
Date: 2008-01-11

I've played around for a while, also read the manual
and googled the internet, but just couldn't find a way
to set up the restraints to the symmetry related atoms
in Refmac5. Could anyone please kindly advice me
how to do that?

Thank you!!!

Jie

Eleanor Dodson wrote:

> It needs Garib to answer this!
> Eleanor
>
> Charlie Bond wrote:
> > Eleanor Dodson wrote:
> >
> >> It should be more or less equivalent, but better I think to put 1S at
> >> 0.5 occ and 2O at occ = 1
> >>
> >> At least in REFMAC the restraints to the symmetry atoms should be set up
> >>
> >
> > But if you do that, some of the bond angles will be unrestrained, won't
> > they?: O1-S-O2 will be OK, but O1-S-O1' and O2-S-O2' will not. Or is
> > refmac cleverer than I think?
> >
> > Cheers,
> > Charlie
> >

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CCP4bb <-- 2008 <-- January 2008 <-- 11 January 2008

Previous message:
Subject: pirate and R-free
From: "Bryan W {- dot -} Lepore" bryanlepore {- at -} MAIL {- dot -} UTEXAS {- dot -} EDU
Date: 2008-01-11

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Subject: Re: Sulfate ion on 2-fold axis - Garib?
From: Garib Murshudov garib {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2008-01-11