Hello Eric,
The 1,2, 3 and 4 points are correct. In 5, there is something wrong; we don't open the old pdb, it's already open from the start.
We tried to apply the transform:
pdb_model.openState.xform * map.openState.xform.inverse()
Without succes results. Do we have to premultiply pdb xform with map inverse xform?
- Reset: get the applied_xform inverse from the old pdb, transform atom coordinates with pdb atoms and this xform and record xform*. (similar to "Transform coordinates" Reset)
- Move to center of mass: get euler xform with (0, 0, 0) euler angles and old pdb center coordinates, transform atom coordinates with old pdb atoms and this xform and record xform*.
- For each solution, get euler xform with euler angles of the solution and solution fitting coordinates, transform atom coordinates with old pdb atoms and this xform and record xform*
- *Record xform is similar to "Transform coordinates" record xform.
Maybe we have wrong concepts at the time we are trying to move the molecule in this advanced situation (remember that the basic situation without moving is working fine)
Thank you so much for your help. Kind regards!