Open main menu

Changes

Relax 1.2.11

55 bytes removed, 11:54, 6 October 2020
→‎Bugfixes: Switch to the {{gna bug link}} template to fix the broken links.
<section begin=bugfixes/>
* The previous release had problems reading results files from relax versions [[relax 1.2.0|1.2.0]] to [[relax 1.2.9|1.2.9]], but now results files from all versions can be read ([https://{{gna.org/bugs/?bug link|8248 |text=see bug #8248]}}).* The synopsis of the system/functional tests now says '''[ Failed ]''' if one the tests fails ([https://{{gna.org/bugs/?bug link|8682 see bug #8682]).* relax now works with Python 2.5 ([https://{{gna.org/bugs/?bug link|9093 |text=see bug #9093]}}).* The writing of the model-free results file, which failed under certain circumstances because of the 'heteronuc' and 'proton' attributes, has been fixed ([https://{{gna.org/bugs/?bug link|8996 |text=see bug #8996]}}).* The problem whereby there is data loss for deselected residues when using [http://www.nmr-relax.com/manual/results_write.html results.write] followed by [http://www.nmr-relax.com/manual/results_read.html results.read] has been resolved ([https://{{gna.org/bugs/?bug link|8953 |text=see bug #8953]}}).* Relaxation data can now be read if deselected spin systems have a relaxation data value or error value set to 'None' ([https://gna.org/bugs/?9101 |text=see bug #9101]}}).* The fatal bug of the reduced spectral density mapping values being incorrectly calculated has been fixed ([https://{{gna.org/bugs/?bug link|9238 |text=see bug #9238]}}).* When using the alternate model-free parameter set {S<sub>f</sub><sup>2</sup>, &tau;<sub>f</sub>, S<sub>s</sub><sup>2</sup>, &tau;<sub>s</sub>}, the incorrect functions were being called ([https://{{gna.org/bugs/?bug link|9189 |text=see bug #9189]}}).* A second fatal problem in the reduced spectral density mapping code, the heteronuclear frequency being overwritten by that of the proton, has been fixed ([https://{{gna.org/bugs/?bug link|9259 |text=see bug #9259]}}).* Another problem with relax and Python 2.5, because of the Scientific package, has been resolved ([https://{{gna.org/bugs/?bug link|9390 |text=see bug #9390]}}).* The XH bond length is now correctly set in the reduced spectral density mapping analysis ([https://{{gna.org/bugs/?bug link|9562 |text=see bug #9562]}}).* The convergence test in the 'full_analysis.py' sample script was failing if spin systems were deselected (see [https://{{gna.org/bugs/?9892 bug #link|9892] }} and [https://{{gna.org/bugs/?10022 bug #link|10022]}}).
<section end=bugfixes/>
Trusted, Bureaucrats
4,223

edits