Lsq_explicit [mol A] [mol B] [[res1 res2 (atom)](A) [res1 (atom)](B)]i [(atom)] [result]
Least squares comparison of 2 structures via explicit atoms. The user must specify two molecules, for example, A and B. The transformation is then applied to B to bring it onto A. No wild cards are allowed when defining the atoms. If no atom name is specified for molecule A, then Ca is implied. If no atom name is specified for molecule B, then the atom name specified for molecule A is chosen. The number of atoms chosen must be identical in the two groups. The result of the comparison can be stored in the database. The user supplied name is appended to various names defined by the program, creating 4 datablocks for each comparison.