Migrate remaining content of biotite-util repository to biotite#550
Migrate remaining content of biotite-util repository to biotite#550padix-key merged 2 commits intobiotite-dev:masterfrom
biotite-util repository to biotite#550Conversation
biotite-util repositoriy to biotitebiotite-util repository to biotite
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@t0mdavid-m As you are the author of the |
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With minor adjustments, I created a version of the However, I am not sure if that would actually be useful as the glycosidic bond orientations and interacting edges should not change over time. In my opinion, including the generating scripts into |
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Thank you very much! I agree that the bonds will not change anymore, so we can omit a CI job for now. But it is nice to have a way to generate these files, if one would like to add entries to the test dataset in the future. |
Most functionalities from https://github.com/biotite-dev/biotite-util have been already integrated in one way or another into this repository. This PR finishes the migration. The analogs of the directories in
biotite-utilare the following:biotite-utilbiotitebuild_gallerydatasetssetup_ccd.pydeployexample_trajectoriesleontis-westhof-testspython_rolestest_structuresAs the NDB has been superseded by the NAKB, which uses as different CSV format for describing base pairs (see for example https://www.nakb.org/naparams.html?1GID_1), the script cannot be used anymore to create new test data. However, probably new test data will also not be necessary in the future, so an adaption of the script is not planned.