Author: bugman
Date: Sat Jan 31 11:32:07 2015
New Revision: 27410
URL: http://svn.gna.org/viewcvs/relax?rev=27410&view=rev
Log:
Added a function for assemble the common atomic coordinates taking sequence
alignments into account.
This is the new pipe_control.structure.main.assemble_structural_coordinates()
function. It takes
the sequence alignment logic out of the
lib.structure.internal.coordinates.assemble_coord_array()
function so that sequence alignments in the relax data store can be used. The
logic has also been
redefined as: 1, use a sequence alignment from the relax data store if
present; 2, use no sequence
alignment if coordinates only come from structural models; 3, fall back to a
residue number based
alignment. The residue number based alignment is yet to be implemented.
As a consequence, the lib.structure.internal.coordinates.assemble_coord_array()
function has been
greatly simplified. It no longer handles sequence alignments, but instead
expects the residue
skipping data structure, built from the alignment, as an argument. The
seq_info_flag argument has
also been eliminated in this function as well as the
pipe_control.structure.main module.
Modified:
trunk/lib/structure/internal/coordinates.py
trunk/pipe_control/structure/main.py
[This mail would be too long, it was shortened to contain the URLs only.]
Modified: trunk/lib/structure/internal/coordinates.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/coordinates.py?rev=27410&r1=27409&r2=27410&view=diff
Modified: trunk/pipe_control/structure/main.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/structure/main.py?rev=27410&r1=27409&r2=27410&view=diff
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