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galaxycomputationalchemistry / galaxy-tools-compchem

:mega: Galaxy Tools for Computational Chemistry
Apache License 2.0
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Qiskit xyz2pdb #168

Closed thepineapplepirate closed 3 months ago

thepineapplepirate commented 3 months ago

This tool converts generic xyz files of coarse grain protein structures and converts them into proper alpha carbon pdb files, which can be further be used with other tools.

bgruening commented 3 months ago

@thepineapplepirate you really need to fix your branches :)

There are always changes from other PRs in it.