Re: [ccp4bb]: Atom Position restraints in refmac

[Anastassis Perrakis <perrakis@nki.nl>]

> My question is: how do I constrain the distance more forcefully?

Another question though is: SHOULD you constrain the distance ?
(You can't do it more forcefully, constraints are like pregnancy
and  homology: Either you are pregnant or not, either you are 
homologous or not. You can't be 'a bit pregnant' or '20% homologous'.
In contrast you can have 'more forceful REstraints' or '20% similarity'.)

Back to crystallography: if these distances are the only ones that deviate
while the rest of the structure geometry follows stereochemical expectations
shouldn't you worry of what else might be there rather than trying to 'force' it 
to what you think that there is there ?


Tassos

PS Sorry guys, Greek for 'Sulphur' is 'Thio'.

> Is there an alternative method?
>
>  
>
> Thanks
> Abhinav
>
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