Commit | Date | |
---|---|---|
[r15016]
by
bugman
Bug fix for the arg_check.is_none() function - the RelaxNoneError was not imported! |
2011-12-02 11:40:44 | Tree |
2011-12-02 08:34:58 | Tree | |
[r15014]
by
bugman
Initialized merge tracking via "svnmerge" with revisions "1-15012" from |
2011-12-02 07:20:40 | Tree |
2011-12-02 07:17:51 | Tree | |
[r15012]
by
bugman
Created a new algorithm for finding the pivot of motion between different structural models. This is available through the structure.find_pivot user function. |
2011-11-24 13:04:42 | Tree |
[r15011]
by
bugman
Fix for the numbering of the TER record and subsequence HETATM records in the PDB file creation. The structure.write_pdb user function now creates the correct TER record after the ATOM records, |
2011-11-23 12:52:58 | Tree |
[r15010]
by
bugman
Added the validate_models() method to the structural API. This is used to check that the models are 100% consistent. |
2011-11-23 09:42:13 | Tree |
[r15009]
by
bugman
Added the centroid argument to the structure.superimpose user function. This allows for the superimposition of structures assuming a pivoted motion. |
2011-11-22 17:27:21 | Tree |
[r15008]
by
bugman
Another fix for the print out of the structure.superimpose user function. The final step of calculating the displacements to the final mean structure was incorrectly output. |
2011-11-22 13:31:24 | Tree |
[r15007]
by
bugman
Fix for the structure.superimpose user function print outs - the angle is now in degrees. |
2011-11-22 13:20:41 | Tree |