Author: bugman Date: Sat Jan 31 11:37:29 2015 New Revision: 27412 URL: http://svn.gna.org/viewcvs/relax?rev=27412&view=rev Log: Updated the structure.find_pivot user function for the changed atomic assembly logic. This now uses the assemble_structural_coordinates() function of the pipe_control.structure.main module to obtain the common coordinates based on pre-existing sequence alignments, no-alignment, or the default of a residue number based alignment. Modified: trunk/pipe_control/structure/main.py Modified: trunk/pipe_control/structure/main.py URL: http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27412&r1=27411&r2=27412&view=diff ============================================================================== --- trunk/pipe_control/structure/main.py (original) +++ trunk/pipe_control/structure/main.py Sat Jan 31 11:37:29 2015 @@ -627,11 +627,8 @@ init_pos = zeros(3, float64) init_pos = array(init_pos) - # Assemble the structural objects. - objects, object_names, pipes = assemble_structural_objects(pipes=pipes, models=models, molecules=molecules) - - # Assemble the atomic coordinates. - coord, ids = assemble_coord_array(objects=objects, object_names=object_names, models=models, molecules=molecules, atom_id=atom_id) + # Assemble the structural coordinates. + coord, ids, mol_names, res_names, res_nums, atom_names, elements = assemble_structural_coordinates(pipes=pipes, models=models, molecules=molecules, atom_id=atom_id) # Linear constraints for the pivot position (between -1000 and 1000 Angstrom). A = zeros((6, 3), float64)