Author: bugman Date: Sat Jan 31 11:36:34 2015 New Revision: 27411 URL: http://svn.gna.org/viewcvs/relax?rev=27411&view=rev Log: Updated the structure.displacement 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=27411&r1=27410&r2=27411&view=diff ============================================================================== --- trunk/pipe_control/structure/main.py (original) +++ trunk/pipe_control/structure/main.py Sat Jan 31 11:36:34 2015 @@ -584,11 +584,8 @@ # Test if the current data pipe exists. check_pipe() - # 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) # Initialise the data structure. if not hasattr(cdp.structure, 'displacments'):