Mercurial > repos > recetox > xtb_molecular_optimization

comparison test-data/initial_mol.coord @ 2:6e1ef071fffc draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xtb commit 68505a19637f8374cc5bde7e6b9370647a064ca9
author recetox
date Thu, 25 Jul 2024 14:27:18 +0000
parents d5633eaf3552
children
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1:cba7123c2741 2:6e1ef071fffc