sorry for repeat. Link I gave in the previous mail should be:
www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
Garib
On 11 Jan 2008, at 19:58, Jie Liu wrote:
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
