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ihmwg / python-ihm

Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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define more crosslinkers #122

Closed grandrea closed 11 months ago

grandrea commented 1 year ago

defining some more commonly used crosslinkers. A couple of them i could not find smiles and inchi for however.

codecov[bot] commented 1 year ago

Codecov Report

Merging #122 (1828c76) into main (a05ef17) will decrease coverage by 2.76%. The diff coverage is 100.00%.

Additional details and impacted files [![Impacted file tree graph](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122/graphs/tree.svg?width=650&height=150&src=pr&token=J0QoOLwwXv&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg)](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg) ```diff @@ Coverage Diff @@ ## main #122 +/- ## ========================================== - Coverage 99.76% 97.00% -2.76% ========================================== Files 29 28 -1 Lines 7292 6722 -570 Branches 1753 1123 -630 ========================================== - Hits 7275 6521 -754 - Misses 11 180 +169 - Partials 6 21 +15 ``` | [Impacted Files](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg) | Coverage Δ | | |---|---|---| | [ihm/cross\_linkers.py](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg#diff-aWhtL2Nyb3NzX2xpbmtlcnMucHk=) | `100.00% <100.00%> (ø)` | | ... and [6 files with indirect coverage changes](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg) ------ [Continue to review full report in Codecov by Sentry](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=continue&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg). > **Legend** - [Click here to learn more](https://docs.codecov.io/docs/codecov-delta?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg) > `Δ = absolute (impact)`, `ø = not affected`, `? = missing data` > Powered by [Codecov](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=footer&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg). Last update [a05ef17...1828c76](https://app.codecov.io/gh/ihmwg/python-ihm/pull/122?src=pr&el=lastupdated&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg). Read the [comment docs](https://docs.codecov.io/docs/pull-request-comments?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=ihmwg).
grandrea commented 1 year ago

thanks! I have updated formatting and written to ask for adding crosslinkers to IHM

brindakv commented 12 months ago

@grandrea @benmwebb Crosslinkers have been updated in the dictionary.