Releases: pharmai/plip
Releases · pharmai/plip
Version 2.4.0
v2.3.1
What's Changed
- fixes NumPy DeprecationWarning by @QY0831 in #150
- Fixes several mistakes in interaction detection with peptide ligands by @kalinni in #153
- Fixes a mistake in hydrogen bond acceptor identification by @kalinni in #151
- Fixes mistakes in waterbridge detection and filtering by @kalinni in #152
New Contributors
Full Changelog: v2.3.0...v2.3.1
Version 2.3.0
What's Changed
- Fixes PDB file correction for multi-model structures by @kalinni in #120
- Fixes a bug when using --nofix by @zrt in #126
- fixes salt bridge detection for nucleic acid receptors by @sungekim in #127
- Updates ImageMagick to version 7 and makes its use platform independent by @kalinni in #144
New Contributors
Full Changelog: v2.2.2...v2.3.0
Version 2.2.2
- fixed a bug that cause encoding errors to be thrown on some systems and Docker images
Version 2.2.1
- streamlines citation information
- adds new paper as standard reference
Version 2.2.0
This minor release bundles a few things:
- atom-level interaction detection for the receptor side
- proper handling of multi-model structures incl. visualization
- reports now contain information about the model that was analyzed
Version 2.1.9
- bug fixes in DNA handling
Version 2.1.8 - Atom-level Interactions
- PLIP now reports all individual atoms that engage in interactions
- minor code optimizations
Version 2.1.7 - Minor Bug Fixes
This is the PLIP Christmas release 🎄 🎅 Thanks to all supporters and contributors.
- fixes minor bugs when handling multiple models from command line
- removes legacy compatibility code for MacOS
- fixes issues when visualizing in PyMOL for other models than the first one
Version 2.1.6 - RCSB API change compatibility
- minor update to ensure working with upcoming API changes at RCSB PDB (see http://www.rcsb.org/news?year=2020&article=5f9714798807d067f8922116)
- status checks for obsolete PDB files was removed as new RCSB GraphQL API does not yet support this (https://data.rcsb.org/migration-guide.html#pdb-file-description)