[ccp4bb]: lsqkab problem

[Boggis <t.galbraith@mail.cryst.bbk.ac.uk>]

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Hi folks,

I'm having a bit of trouble with lsqkab. I'm trying to align 20 trial
structures for an NMR ensemble, but having strange problems. My protein is
only 17 residues long, and in some of the alignments the chain has been
placed in the opposite direction. I used the command lines:

FIT WRESIDUE CA 7 TO 12
MATCH 7 TO 12

Is there a way to ensure that the chain direction is the same for all the
conformers?

TIA,

Toby

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Toby Galbraith 
Birkbeck College, London
email: t.galbraith@mail.cryst.bbk.ac.uk
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