Trusted, Bureaucrats
4,228
edits
Changes
User function HTML manual links.
* Rewrite of the [http://www.nmr-relax.com/manual/relax_development.html Development of relax] chapter.
* Addition of the user function [http://www.nmr-relax.com/manual/pipe_hybridise.html run.hybridise]. ([https://gna.org/task/?3122 task #3122])
* The [http://www.nmr-relax.com/manual/relax_data_read.html user function 'relax_data.read()' ] no longer deselects residues when no data is encountered. ([https://gna.org/bugs/?5501 bug #5501])* Residues are deselected by the user functions '[http://www.nmr-relax.com/manual/grid_search()'.html grid_search], '[http://www.nmr-relax.com/manual/calc()'.html calc], and '[http://www.nmr-relax.com/manual/minimise.html minimise()' ] if k > n or if there is less than 3 data sets. ([https://gna.org/bugs/?5501 bug #5501])
* Mapping parameter values onto the structure through Molmol macros. ([https://gna.org/task/?3146 task #3146])
* Added support for arbitrary colour gradients in the Molmol macros. ([https://gna.org/task/?3146 task #3146])
* The diffusion parameters D<sub>iso</sub>, D<sub>⊥</sub>, D<sub>∥</sub>, D<sub>ratio</sub>, D<sub>x</sub>, D<sub>y</sub>, and D<sub>z</sub> are generated on the fly. ([https://gna.org/bugs/?5559 bug #5559])
* Fixed the spacing after 'Gna!' in the manual.
* The '[http://www.nmr-relax.com/manual/grace_write.html grace.write()' user function ] now plots the associated errors. ([https://gna.org/bugs/?5659 bug #5659])* Fix to the parameter errors not being scaled in the [http://www.nmr-relax.com/manual/value_read.html value.read() user function]. ([https://gna.org/bugs/?5670 bug #5670])
* Parameter errors were not always included in the results file. ([https://gna.org/bugs/?5660 bug #5660])
* Removed the memory leak in the relaxation curve-fitting [[C|C modules]]. ([https://gna.org/bugs/?5602 bug #5602])