relax / SVN archive Commit Log

Commit	Date
[r27687] by bugman Fix for bug #23294 (https://gna.org/bugs/?23294). This is the automatic merging of PDB molecules resulting in an IndexError. Now if only a single molecule name is supplied, this will be used for all molecules in the PDB file. The result is that the structural data will all be automatically merged into a single molecule. This merging is communicated to the user via the current printouts.	2015-02-20 08:35:07	Tree
[r27686] by bugman Merged revisions 27683-27684 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27683 \| bugman \| 2015-02-20 09:31:15 +0100 (Fri, 20 Feb 2015) \| 3 lines Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test. ........ r27684 \| bugman \| 2015-02-20 09:32:09 +0100 (Fri, 20 Feb 2015) \| 6 lines Fix for the Structure.test_bug_23294_multi_mol_automerge system test. The MASTER PDB record has been added to the data to check for, as this will be produced by the structure.write_pdb user function. ........	2015-02-20 08:32:40	Tree
[r27685] by bugman Merged revisions 27683-27684 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27683 \| bugman \| 2015-02-20 09:31:15 +0100 (Fri, 20 Feb 2015) \| 3 lines Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test. ........ r27684 \| bugman \| 2015-02-20 09:32:09 +0100 (Fri, 20 Feb 2015) \| 6 lines Fix for the Structure.test_bug_23294_multi_mol_automerge system test. The MASTER PDB record has been added to the data to check for, as this will be produced by the structure.write_pdb user function. ........	2015-02-20 08:32:38	Tree
[r27684] by bugman Fix for the Structure.test_bug_23294_multi_mol_automerge system test. The MASTER PDB record has been added to the data to check for, as this will be produced by the structure.write_pdb user function.	2015-02-20 08:32:09	Tree
[r27683] by bugman Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test.	2015-02-20 08:31:15	Tree
[r27682] by bugman Merged revisions 27680 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27680 \| bugman \| 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) \| 9 lines Created the Structure.test_bug_23294_multi_mol_automerge system test. This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report, now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the structure.write_pdb user function to make sure that the output PDB file contains a single merged molecule. ........	2015-02-20 08:27:22	Tree
[r27681] by bugman Merged revisions 27680 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27680 \| bugman \| 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) \| 9 lines Created the Structure.test_bug_23294_multi_mol_automerge system test. This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report, now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the structure.write_pdb user function to make sure that the output PDB file contains a single merged molecule. ........	2015-02-20 08:27:20	Tree
[r27680] by bugman Created the Structure.test_bug_23294_multi_mol_automerge system test. This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report, now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the structure.write_pdb user function to make sure that the output PDB file contains a single merged molecule.	2015-02-20 08:26:57	Tree
[r27679] by bugman Merged revisions 27676-27677 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27676 \| bugman \| 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) \| 6 lines Created the Structure.test_multi_model_and_multi_molecule system test. This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The test shows that this functions correctly. ........ r27677 \| bugman \| 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) \| 5 lines Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency. This is just for better test suite coverage of the handling of PDB structural data. ........	2015-02-20 08:26:55	Tree
[r27678] by bugman Merged revisions 27676-27677 via svnmerge from svn+ssh://bugman@.../svn/relax/trunk ........ r27676 \| bugman \| 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) \| 6 lines Created the Structure.test_multi_model_and_multi_molecule system test. This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The test shows that this functions correctly. ........ r27677 \| bugman \| 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) \| 5 lines Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency. This is just for better test suite coverage of the handling of PDB structural data. ........	2015-02-20 08:26:53	Tree

[r27687] by bugman

Fix for bug #23294 (https://gna.org/bugs/?23294).

This is the automatic merging of PDB molecules resulting in an IndexError. Now if only a single
molecule name is supplied, this will be used for all molecules in the PDB file. The result is that
the structural data will all be automatically merged into a single molecule. This merging is
communicated to the user via the current printouts.

2015-02-20 08:35:07

Tree

[r27686] by bugman

Merged revisions 27683-27684 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27683 | bugman | 2015-02-20 09:31:15 +0100 (Fri, 20 Feb 2015) | 3 lines

Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test.
........
r27684 | bugman | 2015-02-20 09:32:09 +0100 (Fri, 20 Feb 2015) | 6 lines

Fix for the Structure.test_bug_23294_multi_mol_automerge system test.

The MASTER PDB record has been added to the data to check for, as this will be produced by the
structure.write_pdb user function.
........

2015-02-20 08:32:40

Tree

[r27685] by bugman

Merged revisions 27683-27684 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27683 | bugman | 2015-02-20 09:31:15 +0100 (Fri, 20 Feb 2015) | 3 lines

Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test.
........
r27684 | bugman | 2015-02-20 09:32:09 +0100 (Fri, 20 Feb 2015) | 6 lines

Fix for the Structure.test_bug_23294_multi_mol_automerge system test.

The MASTER PDB record has been added to the data to check for, as this will be produced by the
structure.write_pdb user function.
........

2015-02-20 08:32:38

Tree

[r27684] by bugman

Fix for the Structure.test_bug_23294_multi_mol_automerge system test.

The MASTER PDB record has been added to the data to check for, as this will be produced by the
structure.write_pdb user function.

2015-02-20 08:32:09

Tree

[r27683] by bugman

Added the PDB file to the repository for the Structure.test_bug_23294_multi_mol_automerge system test.

2015-02-20 08:31:15

Tree

[r27682] by bugman

Merged revisions 27680 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27680 | bugman | 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) | 9 lines

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.
........

2015-02-20 08:27:22

Tree

[r27681] by bugman

Merged revisions 27680 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27680 | bugman | 2015-02-20 09:26:57 +0100 (Fri, 20 Feb 2015) | 9 lines

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.
........

2015-02-20 08:27:20

Tree

[r27680] by bugman

Created the Structure.test_bug_23294_multi_mol_automerge system test.

This is used to catch bug #2329 (https://gna.org/bugs/?23294), the automatic merging of PDB
molecules resulting in an IndexError. It reads in the 'in.pdb' PDB file attached to the bug report,
now named 'bug_23294_multi_mol_automerge.pdb', to show the IndexError. The test also checks the
structure.write_pdb user function to make sure that the output PDB file contains a single merged
molecule.

2015-02-20 08:26:57

Tree

[r27679] by bugman

Merged revisions 27676-27677 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27676 | bugman | 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_multi_model_and_multi_molecule system test.

This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The
test shows that this functions correctly.
........
r27677 | bugman | 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) | 5 lines

Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency.

This is just for better test suite coverage of the handling of PDB structural data.
........

2015-02-20 08:26:55

Tree

[r27678] by bugman

Merged revisions 27676-27677 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r27676 | bugman | 2015-02-19 15:25:40 +0100 (Thu, 19 Feb 2015) | 6 lines

Created the Structure.test_multi_model_and_multi_molecule system test.

This is used to check the loading and writing of a multi-model and multi-molecule PDB file. The
test shows that this functions correctly.
........
r27677 | bugman | 2015-02-19 15:38:54 +0100 (Thu, 19 Feb 2015) | 5 lines

Modified the Structure.test_multi_model_and_multi_molecule test to check for model consistency.

This is just for better test suite coverage of the handling of PDB structural data.
........

2015-02-20 08:26:53

Tree

relax SVN archive

Molecular dynamics by NMR data analysis

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