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.
