Trusted, Bureaucrats
4,228
edits
Changes
Tracker links.
{{lowercase title}}
* Many fixes for the support of Art Palmer's Modelfree program.
* The mapping of the global parameter space (diffusion tensor, etc.) for visualisation in OpenDX has been fixed.
* state.save() no longer fails after running state.load() ([https://gna.org/bugs/?12437 bug #12437]).* Sparky peak lists with the assignment '?-?' are now handled properly ([https://gna.org/bugs/?11913 bug #11913]).* Error analysis in relaxation curve-fitting was incorrectly implemented with standard deviation rather than variance averaging ([https://gna.org/bugs/?12456 bug #12456]).
* A number of fixes for the LaTeX table generating sample script.
* Fixes for the teeing and logging via the -l and -t command line arguments ([https://gna.org/bugs/?12489 bug #12489]).* Fix for when XH bond vector data from a PDB file is missing for a spin system ([https://gna.org/bugs/?12487 bug #12487]).
* Many fixes for when structural data is missing.
* The relax script is no longer overwritten if the log or tee file is not specified on the command line ([https://gna.org/bugs/?12498 bug #12498]).* Missing RelaxError failure in the sequence handling code (found when trying to solve [https://gna.org/bugs/?12582 bug #12582]).* A failure in the results.write() user function has been fixed ([https://gna.org/bugs/?12582 bug #12582]).
* Model selection no longer fails if no model is ever selected.
* Model selection was failing if spins were deselected ([https://gna.org/bugs/?12591 bug #12591]).* The directory name can now be part of the file name argument to results.read() ([https://gna.org/bugs/?12588 bug #12588]).* Optimisation of only the diffusion tensor after calling fix() was failing if some spins were deselected ([https://gna.org/bugs/?12607 bug #12607]).* The internal PDB reader was failing when the PDB file contained CONECT records ([https://gna.org/bugs/?12637 bug #12637]).
<section end=bugfixes/>