I am a bit puzzled - do you know the direction of the rotation axis
which can be converted to polar phi/psi angles, a mid point you want to
rotate about, and the distance of the centre of mass of your molecule
from that point, from which you could find the tranlation shift?
If so I could design a script for pdbset
rotat polar phi psi 90
tran tx1 ty1 tz1
Then
rotat polar phi psi 180
tran tx2 ty2 tz2
And
rotat polar phi psi -90
tran tx3 ty3 tz3
You would have to reassemble the tetramer from the 4 copies.
Eleanor
On 12/12/2011 07:49 PM, Fred wrote:
Hi List,
I would like to build an artificial tetramer from a monomer PBD file.
All that I have is the coordinates it self with CRYST/CELL information
cards. The artificial 4-fold axis has an arbitrary orientation into the
cell. I mean, its not parallel to any crystallographic axis and have to
be at a certain distance of the molecule. This sounds conceptually
simple, but I would like to do that in batch mode for hundreds of PDB's.
Could someone, please, tell me the easiest way/program to do that?
Thanks in advance,
Fred
