Commit | Date | |
---|---|---|
2014-12-16 08:11:58 | Tree | |
[r27113]
by
bugman
Changed the paragraph ordering in the documentation of a number of the structure user functions. This includes the structure.align, structure.displacement, and structure.find_pivot user functions. |
2014-12-16 08:10:28 | Tree |
2014-12-15 17:44:42 | Tree | |
[r27111]
by
bugman
Fix for the Noe.test_bug_21562_noe_replicate_fail system test. This is for the changed behaviour of the structure.read_pdb user function. The problem is that the |
2014-12-12 20:48:16 | Tree |
[r27110]
by
bugman
Expanded the displace_id argument for the structure.align user function. This can now be a list of atom IDs, so that any atoms can be rotated together with the structure |
2014-12-12 15:06:47 | Tree |
[r27109]
by
bugman
Large improvement for the PDB molecule identification code. This affects the structure.read_pdb user function. Now the chain ID code, if present in the PDB |
2014-12-12 14:36:01 | Tree |
[r27108]
by
bugman
Fix for the selective secondary structure reading of the structure.read_pdb user function. The molecule index needs to incremented by 1 to be the molecule number. |
2014-12-12 11:22:47 | Tree |
[r27107]
by
bugman
Improvement for the merge argument of the structure.read_pdb user function. This argument is now overridden if the molecule to merge to does not exist. This allows the merge |
2014-12-12 11:22:03 | Tree |
[r27106]
by
bugman
Improvement for the structure.read_pdb user function. The helix and sheet secondary structure reading now takes the real_mol argument into account to |
2014-12-12 11:08:20 | Tree |
[r27105]
by
bugman
Changes for water in the PDB file created by the structure.write_pdb user function. The waters with the residue name 'HOH' are no longer output to HET records. |
2014-12-12 10:41:11 | Tree |