Releases · jensengroup/propka
- Removed PROPKA input support and argument
- Add Python 3.9 support to continuous integration (#101).
- Removed logging abstraction from code to facilitate debugging and reduce code bloat (#108).
- Fixed bug that raised exception when missing amide nitrogen or oxygen (#17).
propka --versionnow shows the program version and exits (#89). Previously this option took a version argument to specify the sub-version of propka. However, this was non-functional at least since 2012.
- Fix pI reporting in last line of
- Report correct version in
.pkafile header (#92).
- Fix handling of multi-model PDB without MODEL 1 entry (#96).
- Fixed bug and sped up algorithm for identifying bonds via bounding boxes (#97, #110).
- Fixed bug in
propka --display-coupled-residuesthat crashed the program (#105).
This release contains bug fixes, new features, and API changes that are backwards compatible to release 3.2.0.
run.single()works again as documented (issue #82)
- support for using streams as input PDB file was added back (issue #83 and see also #57) with a new and improved API
From this release onwards, PROPKA will follow semantic versioning.