Ecosyste.ms: Issues
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GitHub / thesketh/pygen-structures issues and pull requests
#11 - Update charmm_containers.py - file read in for windows
Pull Request -
State: closed - Opened by avanteijlingen about 4 years ago
- 1 comment
#10 - Errors on Windows systems due to incorrect encoding
Issue -
State: closed - Opened by thesketh about 4 years ago
- 1 comment
Labels: bug
#9 - Minor formatting update
Pull Request -
State: closed - Opened by arfon about 4 years ago
- 1 comment
#8 - Add the ability to un-patch molecules
Issue -
State: open - Opened by thesketh over 4 years ago
Labels: enhancement
#7 - Fail more gracefully with large structures
Issue -
State: open - Opened by thesketh over 4 years ago
Labels: bug
#6 - Description of Rdkit install without conda in README
Issue -
State: closed - Opened by amandadumi over 4 years ago
- 1 comment
#5 - Update Sphinx config to use the normal ReadTheDocs theme
Issue -
State: closed - Opened by thesketh over 4 years ago
- 1 comment
Labels: documentation
#4 - Change `typing` types to the more specific types from `pygen_structures._typing`
Issue -
State: open - Opened by thesketh over 4 years ago
Labels: typing
#3 - Unit and integration tests are lacking
Issue -
State: open - Opened by thesketh over 4 years ago
- 3 comments
Labels: testing
#2 - Documentation needs more examples
Issue -
State: open - Opened by thesketh over 4 years ago
- 1 comment
Labels: documentation
#1 - Embedding molecules with fixed coords seems to be broken
Issue -
State: open - Opened by thesketh over 4 years ago
Labels: bug