Menu

SVN archive Commit Log


Commit Date  
[r27420] by bugman

Implemented the multiple sequence alignment method based on residue numbers.

This is the new msa_residue_numbers() function in the lib.sequence_alignment.msa module. The logic
is rather basic in that the alignment is based on a residue number range from the lowest residue
number to the highest - i.e. it does not take into account gaps in common between all input
sequences.

2015-01-31 11:21:57 Tree
[r27419] by bugman

Implemented the residue number based alignment in the atomic assembly function.

This is in the new pipe_control.structure.main.assemble_structural_coordinates() function. The code
for creating the residue skipping data structure is now shared between the three sequence alignment
options.

2015-01-31 11:04:18 Tree
[r27418] by bugman

Another fix for the new pipe_control.structure.main.assemble_structural_coordinates() function.

The logic for determining if only models will be superimposed was incorrect.

2015-01-31 10:54:29 Tree
[r27417] by bugman

Fix for the new pipe_control.structure.main.assemble_structural_coordinates() function.

The atom_id argument is now passed into the assemble_atomic_coordinates() function of the
lib.structure.internal.coordinates module so that atom subsets are once again recognised.

2015-01-31 10:49:51 Tree
[r27416] by bugman

Fix for the structure.superimpose user function if no data pipes are supplied.

This reintroduces the pipes list construction.

2015-01-31 10:42:52 Tree
[r27415] by bugman

Updated the structure.web_of_motion 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.

2015-01-31 10:40:22 Tree
[r27414] by bugman

Updated the structure.rmsd 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.

2015-01-31 10:39:41 Tree
[r27413] by bugman

Updated the structure.atomic_fluctuations 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.

2015-01-31 10:38:34 Tree
[r27412] by bugman

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.

2015-01-31 10:37:29 Tree
[r27411] by bugman

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.

2015-01-31 10:36:34 Tree
Older >
Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.