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Re: [ccp4bb]: anisotropic B factors in Refmac
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marta ferraroni wrote:
>
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> Dear all,
>
> I am trying to use the card REFI BREF MIXED in Refmac in order to refine
> anisotropically B factors for two metal ions in a structure.
> I put the ANISOU card for the two ions in the pdb file but in the output
> pdb file I don't have that card so that in the next cycle after arp the
> program refine the two metals with isotropic B factors.
>
> Any suggestion would be appreciated
>
> Best regards
>
> Marta
>
>
Can you check if the ANISO cards are there after REFMAC - I dont think
ARP can handle them so you have to edit them back in by hand after each
ARP step.
Eleanor