Releases: rs-station/rs-booster
Releases · rs-station/rs-booster
v0.1.3
v0.1.2
What's Changed
- allow nonstandard settings for space groups by @kmdalton in #45
- Add --ignore-isomorphism flag to rs.scaleit by @dennisbrookner in #47
Full Changelog: v0.1.1...v0.1.2
v0.1.1 Various Improvements
What's Changed
- bugfix in
rs.find_peaks
andrs.find_difference_peaks
- more consistent parsing for
rs.cc
scripts - improved functionality in
rs.extrapolate
- added
rs.rfree
function for generating Rfree flags
Full Changelog: v0.0.4...v0.1.1
rs-booster 0.1.0
Announcement
- This is the first release from the new
rs-station
GitHub organization. The change should be seamless -- the PyPI release should be made forrs-booster 0.1.0
without any issues -- but please file an Issue if anything surprising happens.
What's Changed
- Add
wDF
column for improved visualization of diffmaps in PyMOL by @JBGreisman in #21 - Add automated testing to
rs-booster
by @JBGreisman in #22 - Update Hekstra-Lab organization references to rs-station by @JBGreisman in #23
Full Changelog: v0.0.4...v0.1.0
rs-booster 0.0.4
What's Changed
- Add command line script for making extrapolated structure factors by @JBGreisman in #1
- Add commandline tools for scaleit and internal difference maps by @JBGreisman in #2
- Add efxtools.ccsym for computing CCsym across a given symmetry operation by @JBGreisman in #3
- Update API of efxtools.internal_diffmap to parallel efxtools.scaleit by @JBGreisman in #4
- Ordinary diffmaps by @JBGreisman in #5
- Update with CCpred calculation by @JBGreisman in #6
- Precog2mtz by @kmdalton in #7
- Add CCanom calculation from careless output by @JBGreisman in #10
- added peakfinding utility by @kmdalton in #8
- add element column to peak_report by @kmdalton in #12
- Update the README by @kmdalton in #13
- Add CChalf calculation to
stats
by @JBGreisman in #14 - Migrate namespace to support name change to
rs-booster
by @JBGreisman in #15 - Setup rs-booster package for PyPI release by @JBGreisman in #16
- Add GitHub action for pubilshing to PyPI by @JBGreisman in #17
New Contributors
- @JBGreisman made their first contribution in #1
- @kmdalton made their first contribution in #7
Full Changelog: https://github.com/Hekstra-Lab/rs-booster/commits/v0.0.4