Commit | Date | |
---|---|---|
[r28098]
by
bugman
Created the structure.pca user function front end. This is currently modelled on the structure.rmsd user function framework. |
2015-11-25 17:37:55 | Tree |
[r28097]
by
bugman
Added a file to the test suite shared data to help implement the PCA structural analysis. This is the N-domain of the CaM-IQ complex used in a frame order analysis. It is the first 5 |
2015-11-25 17:37:53 | Tree |
[r28096]
by
bugman
Updates to the Noe and Structure system test classes for the internal structural object changes. The serial number can now be reset, and the chain ID information is no longer stored. |
2015-11-25 17:09:04 | Tree |
[r28095]
by
bugman
Modified the internal structural object to be less influenced by the format of the PDB. The PDB serial number is now intelligently handled, in that it is reset to 1 when a new model is The chain ID information is now no longer stored in the internal structural object, as this |
2015-11-25 17:09:01 | Tree |
[r28094]
by
tlinnet
Fix for spelling mistake and documenting the new behavior of relax_disp.r2eff_read(), when reading r2eff points with the same frequency. If the spin-container already contain r2eff values with the 'frequency of the CPMG pulse' or 'spin-lock field strength', |
2015-11-24 07:15:43 | Tree |
[r28093]
by
tlinnet
Using Gary's lib.float.isNaN() instead of math.isnan(), to have backwards compability with python 2.5. |
2015-11-24 07:15:35 | Tree |
[r28092]
by
bugman
Added the svn:mime-type property as "application/octet-stream" to all bzip2 compressed files. This is to avoid binary diffs. The command used was: |
2015-11-23 11:49:57 | Tree |
[r28091]
by
bugman
Added a sample script for back-calculating relaxation data from a model-free results file. This is useful when the results file is not the final model, as these results file do not contain |
2015-11-23 09:20:47 | Tree |
[r28090]
by
tlinnet
Fix for GUI test: relax --gui-tests Relax_disp.test_paul_schanda_nov_2015 --time -d. When loading from a script state file, the value of "None" can be present. |
2015-11-22 18:03:10 | Tree |
[r28089]
by
tlinnet
Added GUI test: relax --gui-tests Relax_disp.test_paul_schanda_nov_2015 --time -d This will show that loading a state will create a problem. Traceback (most recent call last): |
2015-11-22 17:02:17 | Tree |