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Python toolbox using OpenBabel to extract ligands from 3D (crystal) structures, and place them into the minor or major grooves of other DNA structures.

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rgiessmann/grooves

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grooves

A repository about how to use OpenBabel to place ligands into DNA minor/major grooves

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Python toolbox using OpenBabel to extract ligands from 3D (crystal) structures, and place them into the minor or major grooves of other DNA structures.

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