*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
> > Brain-dead question: is there a ccp4 program that will invert a
> > substructure for me? (pdbset doesn't, does it?)
> >
> > phx.
> >
> >
> >
> >
> pdbset xyzin x.pdb xyzout x_inv.pdb
> symgen -x,-y,-z
> end
>
> E
It seems that Eleanor knows even the 'features' of pdbset by heart :-)
pdbset xyzin in.pdb xyzout out.pdb
ROTATE MATRIX -1 0 0 0 -1 0 0 0 -1
end
...
**** Transformation matrix is not a rotation ****
Determinant = -1.00000
**** Matrix reverses hand ****
...
--
Dr Nicholas M. Glykos, Department of Molecular
Biology and Genetics, Democritus University of Thrace,
Dimitras 19, 68100 Alexandroupolis, GREECE, Fax ++302551030613
Tel ++302551030620 (77620), http://www.mbg.duth.gr/~glykos/
