Datablocks for the LSQ menu

• .lsq_integer  

  1 Defines a distance cutoff limit for Lsq_improve, default of 38 corresponds to 3.8Å.

  2 Defines smallest fragment size for Lsq_improve, default 3.

  3 Defines the colour code of the vector between paired atoms, default red.

Each transformation saved by the program creates 4 data blocks. If the user saved a transformation under the name rbp_to_p2, then the following would be created:

.lsq_rt_rbp_to_p2 : the transformation matrix, stored columnwise, as the following 12 real numbers:

x  =  R(1)x + R(4)y + R(7)z + R(10)
y  =  R(2)x + R(5)y + R(8)z + R(11)
z  =  R(3x + R(6)y + R(9)z + R(12)

This data block can be used to specify operators that are applied to 3-D objects such as maps (command Rot_tran_obj), objects (command Lsq_obj) or molecular coordinates (command Lsq_mol).      

• .lsq_mm_rbp_to_p2: Holds the names of the two molecules being compared.
• .lsq_mn_rbp_to_p2: Holds the paired set of atoms from each molecule.
• .lsq_vp_rbp_to_p2: A description of the vectors between paired atoms in the O graphics object descriptor language. This is a large entry and should be deleted if not needed.