propka.calculations¶
Calculations¶
Mathematical helper functions.
Module Attributes
Maximum distance used to bound calculations of smallest distance |
Functions
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Calculate the distance between two atoms. |
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Calculate the smallest distance between two groups of atoms. |
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Calculate the squared distance between two atoms. |
- propka.calculations.MAX_DISTANCE = 1000000.0¶
Maximum distance used to bound calculations of smallest distance
- propka.calculations.distance(atom1, atom2)[source]¶
Calculate the distance between two atoms.
- Parameters
atom1 – first atom for distance calculation
atom2 – second atom for distance calculation
- Returns
distance