Ecosyste.ms: Issues

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GitHub / MDAnalysis/mda-openbabel-converter issues and pull requests

#21 - Update 'getting started' page in documentation

Issue - State: open - Opened by lunamorrow 23 days ago

#20 - Writing documentation for the OpenBabel Converter

Pull Request - State: closed - Opened by lunamorrow 25 days ago - 4 comments

#19 - Setup ReadTheDocs

Pull Request - State: closed - Opened by lunamorrow about 1 month ago - 1 comment

#18 - Extend tests for OpenBabelParser

Pull Request - State: closed - Opened by lunamorrow about 2 months ago - 3 comments

#17 - Add support for chainIDs for PDB/MOL2 molecules

Issue - State: open - Opened by lunamorrow about 2 months ago

#16 - OpenBabelReader and Tests

Pull Request - State: closed - Opened by lunamorrow 4 months ago - 4 comments

#15 - Make tests from data files for OpenBabelParser

Issue - State: open - Opened by lunamorrow 4 months ago

#14 - Fix CI

Pull Request - State: closed - Opened by IAlibay 4 months ago - 3 comments

#13 - Update gh-ci.yaml

Pull Request - State: closed - Opened by hmacdope 4 months ago - 2 comments

#12 - OpenBabelParser and Tests

Pull Request - State: closed - Opened by lunamorrow 5 months ago - 3 comments

#11 - Reset to clean slate, to enable work on Parser

Pull Request - State: closed - Opened by lunamorrow 5 months ago - 1 comment

#9 - [Long Term] Add documentation and tutorials

Issue - State: open - Opened by hmacdope 6 months ago

#8 - [Long Term] Cut a release and deploy on conda-forge.

Issue - State: open - Opened by hmacdope 6 months ago

#7 - Get CI to work

Issue - State: closed - Opened by hmacdope 6 months ago - 1 comment

#6 - Develop unit tests for OpenBabelReader

Issue - State: open - Opened by lunamorrow 6 months ago

#5 - Create OpenBabelReader to convert OpenBabel OBMol to MDAnalysis AtomGroup

Issue - State: open - Opened by lunamorrow 6 months ago - 10 comments

#4 - Change LICENSE to ~~LGPL~~ EDIT: GPL2+

Issue - State: open - Opened by hmacdope 6 months ago - 1 comment

#3 - Make documentation that works on Read The Docs

Issue - State: open - Opened by hmacdope 6 months ago

#2 - 28/5/24 starting on OpenBabelReader

Pull Request - State: closed - Opened by lunamorrow 6 months ago - 1 comment

#1 - Core structure creation

Pull Request - State: closed - Opened by lunamorrow 6 months ago - 1 comment