Hi,
does it have to be a script? pdbset from ccp4 and moleman(2) by G.
Kleywegt should be able to carry out this transformation.
I think, the rotation matrix would be
0 1 0
1 0 0
0 0 -1
and the translational vector (0 0 2/3).
So in pdbset, the command would probably be
transform fractional 0 1 0 1 0 0 0 0 -1 0 0 0.666667
Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Tue, 11 Mar 2008, Raja Dey wrote:
Hi,
Does anyone have ready made script to convert 3D co-ordinate from
x,y,z to y,x,-z+2/3. I need to create a new pdb file from existing one.
I am using ubuntu linux with tcshell ans also mac with bash shell. Thank
you in advance for the script. RD
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