Trusted, Bureaucrats
4,228
edits
Changes
Jump to navigation
Jump to search
m
Switch to the {{gna task link}} template to remove dead Gna! links.
* Significant improvements to the SCons build system (see 'scons --help').
* Expansion and improvement of the [http://www.nmr-relax.com/manual/relax_development.html relax development chapter].
* The [http://www.nmr-relax.com/manual/grace_write.html grace.write user function] works with reduced spectral density mapping. ([https://{{gna.org/task/?link|4002 task #4002]}})
<section end=features/>
* [http://www.nmr-relax.com/manual/Installation_on_MS_Windows.html MS Windows installation instructions have been added to the manual].
* The [http://www.nmr-relax.com/api/1.2/errors.RelaxWarnings-class.html RelaxWarning system] has been added to standardise warning messages.
* The [http://www.nmr-relax.com/manual/test_suite.html relax manual now describes the test suite]. ([https://{{gna.org/task/?#link|3781 task #3781]}})
* The <sup>15</sup>N CSA values in the sample scripts are now all -172 ppm.
* The ambiguity cased by supplying the option 'None' together with Newton optimisation has been resolved in the documentation. ([https://{{gna.org/task/?link|3630 task #3630]}})
* Optimisation tests have been added to the test suite.
<section end=changes/>
* The strict checking of the D<sub>a</sub> and D<sub>r</sub> diffusion tensor parameters has been relaxed to allow for optimisation imprecision. ([https://gna.org/bugs/?7297 bug #7297])
* The reading of [[Modelfree4]] mfout results files no longer fails when residue specific relaxation data is missing (corrupt input data). ([https://gna.org/bugs/?7277 bug #7277])
* If optimisation returns an infinite value or a NaN value, these are now caught and a RelaxError thrown. ([https://gna.org/bugs/?6503 bug #6503], [https://{{gna.org/task/?link|3621 task #3621]}})
* The [http://www.nmr-relax.com/manual/NOE_script_mode_the_NOE_calculation.html σ<sub>NOE</sub> equations of Chapter 8 of the manual] have been fixed. ([https://gna.org/bugs/?7402 bug #7402])
* Files containing relaxation data not consisting of exactly 4 columns will now be read. ([https://gna.org/bugs/?7583 bug #7583])
