Hi, Stefanie
Are those 6 molecules related by NCS? If so, you can model one first,
and use transform_coords_molecule (imol, rtop) to generate others.
I used to do this five times for a pentamer:
output_pdb='template'
for i in range (2,6):
transform_coords_molecule (1, [[x1, y1, z1, x2, y2, z2, x3, y3, z3],
[a, b, c]])
filename=output_pdb+str(i)+'.pdb'
save_coordinates (1, filename)
I think you can write all the the tranformation matrix out instead of
the loop if they differ significantly. Others may have more
experience.
Best,
Joe
On Mon, Feb 28, 2011 at 6:32 PM, FREITAG-POHL S.
<stefanie.freitag-p...@durham.ac.uk> wrote:
> Hello everybody,
>
> Currently I am refining my 6 x 220 amino acid structure and
> I was wondering if COOT is automatically writing a kind of protocol
> what I am changing in my pdb file when I am fitting-in new residues or
> mutate
> amino acids. If so where can I find it?
>
> Thanks a lot,
>
> Stefanie
>
> Dr. Stefanie Freitag-Pohl
> Durham University
> Chemistry Dept
> South Road
> Durham. DH1 3LE
> Tel: 0191 3342143
> Email: stefanie.freitag-p...@durham.ac.uk
>
>
>
