Please ignore my previous message: Coot lsq does spit out the matrix. I was confused because in the cases where it cannot find the equivalent residues . And so it fails to find a transformation operator , coot still generates a copy of the moving molecule . This made me think that the transformation had worked even though the stdout clearly indicated it had not
Hari On Sun, Apr 12, 2009 at 3:42 AM, hari jayaram <[email protected]> wrote: > Hi I am using the latest build (1947 0.6 pre) of coot > > Coot lsq superpose does exactly what I want it to do i.e superpose all the > atoms from one set of fragments to the ncs symmety other set of fragments. > > Is it possible to have coot output to stdout the transfomation matrix like > it does when it does a ssm match. > > SSM superpose fails on this case since the superposed entities are still > poly-ALA . I have tried getting lsqkab from ccp4 to behave and do the same > thing but its quite tedious to teach lsqkab which chains are related. > > I know coot-lsq does the right thing , Is it possible for it to spit out > the transformation matrix for lsq as well . > > Thanks > hari > >
