bbpreparedΒΆ
New bbprepared module.
Classes
Modify a building block. |
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Get the conformer best for binding as ditopic linker. |
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Modify a building block. |
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Get the molecule with the min/max of a target angle. |
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Modify a building block. |
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Get the most planar molecule in an ensemble. |
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Get the conformer that minimises some property. |
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Modify a building block. |
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Modify a building block. |
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Modify a building block. |
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Get the conformer closest to some target property. |
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Get the molecule with the closest torsion to the target. |
Modules
generators package. |
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selectors package. |