So it's really a non-CCP4 non-solution...
--G
On Fri, 26 Feb 2010, Pavel Afonine wrote:
> On 2/26/10 8:35 AM, Gerard DVD Kleywegt wrote:
>> Nope - LSQMAN would still be looking for stretches of sequentially ordered
>> residues and would only match atoms with identical names (" CB " with " CB
>> ", for instance).
>>
>> --G
>>
>> PS: Brownie points for the non-phenix solution, though!
>
> A non-CCP4 (PHENIX) solution is:
>
> phenix.superpose_pdbs fixed.pdb moving.pdb selection_fixed="chain A and name
> XY" selection_moving="chain B and name ZX"
>
> which is not as automated as desired since you need to define (manually,
> sorry) atoms in moving and fixed structures that will be used in
> superposition.
>
> Pavel.
>
Best wishes,
--Gerard
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Gerard J. Kleywegt
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:[log in to unmask]
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