Structure#
Aligning the principal inertia or geometric axes of a molecular system over a reference coordinates axes |
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Centering a molecular system |
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Flip a molecular system over a plane |
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Getting the angles between specific triplets of atoms of a molecular system |
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Getting the center of a molecular system |
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Getting the contact matrix of specific elements of a molecular system or two different molecular systems |
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Getting the dihedral angles of a molecular system |
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Getting the distance between specific elements of a molecular system or two different molecular systems |
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Getting the least RMSD of a molecular system from a reference molecular system |
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Getting the maximum distance between specific groups of elements of a molecular system or two different molecular systems |
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Getting the minimum distance between specific groups of elements of a molecular system or two different molecular systems |
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Getting the list of neighboring elements or groups of elements of a molecular system from specific elements or group of elements of another molecular system |
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Getting the principal inertia or geometric axes of a molecular system |
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Getting radius of gyration of a molecular system |
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Getting the RMSD of a molecular system from a reference molecular system |
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Aligning the structure of a molecular system over a reference molecular system |
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Fitting the structure of a molecular system over a reference molecular system |
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Moving away a molecular system from another molecular system |
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Principal component analysis |
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Rotating a molecular system |
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Setting new dihedral angles values in a molecular system |
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Shifting dihedral angles in a molecular system |
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Showing the graphical representation of the contact matrix of specific elements of a molecular system or two different molecular systems |
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Translating a molecular system |