All notable changes to this project will be documented in this file, following the suggestions of Keep a CHANGELOG. This project adheres to Semantic Versioning.
- New features
- Added ref_genome parameter to g2sDataset.get_position_dataset
- Changes
- Replaced top level notebook example with new version using InteractionExtractor
-
Bug fixes
- Removed hard-coded denominator value for decoding occupancy values
-
Changes
- Upgraded pyspark to 2.3.2
- Use pandas msgpack library instead of msgpack-python for decoding
-
New features
- Added InteractionExtractor class using vectorized methods
- Added new filter methods in InteractionFilter class using vectorized methods
-
Bug fixes
- Fixed MMTF decoding error
-
New features
- Added method to retrieve PTMs from dbPTM
- Added method to retrieve PTMs from PDB
- Added method to retrieve PDB to Uniprot chain and residue level mappings
- Added support for ligandIds in advanced search results
- Added method to create dataset for advanced search results
- Added pyarrow 0.8.0 dependency
- Added xlrd 1.1.0 dependency to support Excel spreadsheets with pandas
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Changes
- Use https instead of ftp to retrieve BlastClust data
- Upgraded py3dmol to 0.8.0
- Moved binder related files to binder directory
- use latest version of mmtf-python that uses msgpack 0.5.6
- update to msgpack>=0.5.6 from msgpack-python (PyPi package name has changed!)
- update py4j to 0.10.6 as required by pyspark 2.3.0
- remove sc from mmtfReader and mmtfWriter functions parameters
- fix windows durgbank decoding issue
- Included all modules in init files
- Using wheel to package
- New functions, classes and demo notebooks
- Finished all classes, functions and unit tests for alpha release
- Created setup.py for local pip install