MDAnalysis mda-openbabel-converter issues - Githubissues

MDAnalysis / mda-openbabel-converter

MIT License

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Extend tests for OpenBabelParser

#18 lunamorrow opened 1 week ago
3
Add support for chainIDs for PDB/MOL2 molecules

#17 lunamorrow opened 1 week ago
0
OpenBabelReader and Tests

#16 lunamorrow closed 3 weeks ago
4
Make tests from data files for OpenBabelParser

#15 lunamorrow opened 2 months ago
0
Fix CI

#14 IAlibay closed 2 months ago
3
Update gh-ci.yaml

#13 hmacdope closed 2 months ago
2
OpenBabelParser and Tests

#12 lunamorrow closed 2 months ago
3
Reset to clean slate, to enable work on Parser

#11 lunamorrow closed 3 months ago
1
Create OpenBabelParser to convert OpenBabel OBMol to MDAnalysis Universe by parsing atom attributes

#10 lunamorrow closed 2 months ago
1
[Long Term] Add documentation and tutorials

#9 hmacdope opened 4 months ago
0
[Long Term] Cut a release and deploy on conda-forge.

#8 hmacdope opened 4 months ago
0
Get CI to work

#7 hmacdope closed 2 months ago
1
Develop unit tests for OpenBabelReader

#6 lunamorrow opened 4 months ago
0
Create OpenBabelReader to convert OpenBabel OBMol to MDAnalysis AtomGroup

#5 lunamorrow opened 4 months ago
10
Change LICENSE to ~~LGPL~~ EDIT: GPL2+

#4 hmacdope opened 4 months ago
1
Make documentation that works on Read The Docs

#3 hmacdope opened 4 months ago
0
28/5/24 starting on OpenBabelReader

#2 lunamorrow closed 4 months ago
1
Core structure creation

#1 lunamorrow closed 4 months ago
1