Electrostatics/mmcif_pdbx issues and pull requests

#60 - conda-forge package

Issue - State: open - Opened by orbeckst over 2 years ago - 2 comments

#59 - Ready for v2.0.1 release?

Pull Request - State: closed - Opened by sobolevnrm about 3 years ago - 1 comment

#58 - Add pdbx to path so import works with RTD build

Pull Request - State: closed - Opened by sobolevnrm about 3 years ago - 1 comment

#57 - Update community guidelines

Pull Request - State: closed - Opened by sobolevnrm about 3 years ago

#56 - Create CONTRIBUTING.md

Pull Request - State: closed - Opened by sobolevnrm about 3 years ago

#55 - Create CODE_OF_CONDUCT.md

Pull Request - State: closed - Opened by sobolevnrm about 3 years ago - 6 comments

#54 - Fix RTD docs

Issue - State: open - Opened by sobolevnrm over 3 years ago - 3 comments

#53 - Remove versioneer support

Pull Request - State: closed - Opened by sobolevnrm over 3 years ago - 6 comments

#52 - Add code, test, and doc config for updated version

Pull Request - State: closed - Opened by intendo over 3 years ago - 1 comment

#51 - ReadTheDocs is missing useful API documentation

Issue - State: open - Opened by sobolevnrm over 3 years ago

#50 - pdb2pqr can't find mmcif_pdbx module although the latter is installed

Issue - State: closed - Opened by dvdesolve over 3 years ago - 7 comments

#49 - Make reader more functional

Issue - State: closed - Opened by sobolevnrm over 3 years ago - 2 comments

#48 - Versioneer is causing problems with conda build

Issue - State: closed - Opened by sobolevnrm over 3 years ago - 4 comments

#47 - Make documentation more robust.

Pull Request - State: closed - Opened by sobolevnrm over 3 years ago - 3 comments

#46 - Convert to/from PDB format?

Issue - State: closed - Opened by sobolevnrm over 3 years ago - 3 comments

#45 - Update version of release in change log.

Pull Request - State: closed - Opened by sobolevnrm over 3 years ago

#44 - Add change log to package.

Pull Request - State: closed - Opened by sobolevnrm over 3 years ago - 2 comments

#43 - Release new version of mmcif-pdbx

Issue - State: closed - Opened by sobolevnrm over 3 years ago - 4 comments

#42 - This software would benefit from a Change Log

Issue - State: closed - Opened by sobolevnrm over 3 years ago

#41 - Import error with reader.PdbxReader

Issue - State: closed - Opened by sobolevnrm over 3 years ago - 2 comments

#40 - Added versioneer

Pull Request - State: closed - Opened by intendo almost 4 years ago

#39 - Add versioneer to track versions correctly

Issue - State: closed - Opened by intendo almost 4 years ago

#38 - Fix trailing whitespaces in PdbxWriter

Issue - State: open - Opened by intendo almost 4 years ago

#37 - Flatten namespace, added github action for black

Pull Request - State: closed - Opened by intendo almost 4 years ago

#36 - Update Sphinx configuration for RTD

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#35 - Fix sphinx documentation

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 2 comments

#34 - DataContainer and DataCategory Documentation

Issue - State: closed - Opened by intendo almost 4 years ago

#33 - DefinitionContainer and DataContainer

Issue - State: open - Opened by intendo almost 4 years ago

#32 - Flatten Namespace

Issue - State: closed - Opened by intendo almost 4 years ago - 1 comment

#31 - Add basic documentation for API

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 6 comments

#30 - Roundtrip test for loads() + dumps()

Pull Request - State: closed - Opened by speleo3 almost 4 years ago

#29 - Add pdbx.load, pdbx.loads, pdbx.dump, pdbx.dumps

Pull Request - State: closed - Opened by speleo3 almost 4 years ago - 2 comments

#28 - Fix data name reading

Pull Request - State: closed - Opened by speleo3 almost 4 years ago

#27 - Map special values `?` to None and `.` to ""

Pull Request - State: closed - Opened by speleo3 almost 4 years ago

#26 - Remove all from init.py

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago

#25 - Update README to point to canonical mmCIF repo

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago

#24 - Remove all from init.py to stop bad habits using import *

Issue - State: closed - Opened by intendo almost 4 years ago

#23 - Refactor + improve pdbx.reader StopIteration usage

Pull Request - State: closed - Opened by speleo3 almost 4 years ago

#22 - Refactor usage of StopIteration in pdbx.reader

Issue - State: closed - Opened by speleo3 almost 4 years ago - 1 comment

#21 - Distinguish unknown (?) and inapplicable (.) values from strings

Issue - State: closed - Opened by speleo3 almost 4 years ago - 2 comments

#20 - Update README.md

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 2 comments

#19 - Update init.py

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 2 comments

#18 - Tag and release new PyPI version

Issue - State: closed - Opened by sobolevnrm almost 4 years ago

#17 - Fixed typo in Github actions

Pull Request - State: closed - Opened by intendo almost 4 years ago

#16 - Github actions pushing coverage results to Jensen group

Issue - State: closed - Opened by intendo almost 4 years ago - 3 comments

#15 - Clean up module structure and consolidate error classes

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#14 - De-lint code and clean up tests

Pull Request - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#13 - Make the code look more functional

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 7 comments

#12 - Enable logging support

Issue - State: open - Opened by sobolevnrm almost 4 years ago

#11 - Consolidate multiple redundant error classes

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#10 - Clean up sub-module structure

Issue - State: closed - Opened by sobolevnrm almost 4 years ago

#9 - Remove exec() commands from code

Issue - State: open - Opened by sobolevnrm almost 4 years ago

#8 - Add API documentation

Issue - State: closed - Opened by sobolevnrm almost 4 years ago

#7 - Convert tests to regression tests

Issue - State: open - Opened by sobolevnrm almost 4 years ago

#6 - Make tests run in temporary directory

Issue - State: closed - Opened by sobolevnrm almost 4 years ago

#5 - Release PyPI package

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#4 - Enable code coverage analysis

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#3 - Enable GitHub actions for testing

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#2 - Enable PIP installation

Issue - State: closed - Opened by sobolevnrm almost 4 years ago - 1 comment

#1 - pylint code

Issue - State: closed - Opened by sobolevnrm almost 4 years ago

GitHub / Electrostatics/mmcif_pdbx issues and pull requests