Commit | Date | |
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[r18829]
by
bugman
Merged revisions 18822-18828 via svnmerge from ........ |
2013-03-15 10:23:54 | Tree |
[r18828]
by
bugman
Fully implemented the structure.create_rotor_pdb user function. For this, the generic_fns.structure.geometric.create_rotor_propellers() function was created. |
2013-03-15 10:21:12 | Tree |
2013-03-15 09:59:10 | Tree | |
[r18826]
by
bugman
The internal structural object MolContainer.add_atom() method now returns the index of the new atom. |
2013-03-15 09:32:04 | Tree |
[r18825]
by
bugman
Started to implement the backend of the structure.create_rotor_pdb user function. |
2013-03-14 18:59:45 | Tree |
[r18824]
by
bugman
Added file, directory and overwrite force arguments to the structure.create_rotor_pdb user function. |
2013-03-14 18:35:40 | Tree |
[r18823]
by
bugman
Created the front end for the new structure.create_rotor_pdb user function. This will be used to create a PDB representation of a rotor motional model. |
2013-03-14 16:54:01 | Tree |
[r18822]
by
bugman
Fix for a strange and extremely rare typo bug in the model-free specific analysis code. This was identified by Manish Chaubey <manish dott chaubey att tuebingen dott mpg dott de> in the This only occurs if a relaxation data error of zero is encountered and is a bug in the RelaxError |
2013-03-13 17:24:47 | Tree |
[r18821]
by
bugman
Merged revisions 18819-18820 via svnmerge from ........ |
2013-03-13 15:20:29 | Tree |
[r18820]
by
bugman
Added the write_doc class variable to the specific analysis API class as a empty string. This is to fix the unit tests. |
2013-03-13 15:19:05 | Tree |