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:ger...@xray.bmc.uu.se
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