Anastassis Perrakis wrote:
> On 10 Aug 2007, at 18:59, Pavel Afonine wrote:
>
>> Hi Mike,
>>
>> the best is to do both in a loop:
>>
>> for cycle in cycles:
>> - do real space refinement;
>> - do reciprocal space refinement
>
> Well - thats what we all do - right ?
> The real space refinement can be done either with the tools from
> Chapman at al,
> or interactively by the user or by (here I go again ... ) ARP/wARP or
> Resolve etc etc.
> In all cases we fit the model to the map ... only the tools differ.
I was not clear enough, sorry. By refinement I meant the
mini(maxi)mizer-driven optimization of a goal function w.r.t. model
parameters, and not atoms re-shuffling manually (looking at map) or
using a program.
Pavel.
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