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Molecular Contact Cutoff Decision

Classify an explicit molecular distance using a caller-supplied cutoff and equality convention without inferring bonding.

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Description

Compare a supplied molecular distance with a cutoff and equality policy.

Biophysical scalar models require explicit signal, concentration, temperature, energy and geometric conventions. Effective concentration differs from dimensionless activity, a single displacement differs from mean-square displacement, and a fluorescence yield ratio needs absorption and refractive-index corrections. Supplied model parameters do not establish that the model applies to an experiment.

Compare a supplied molecular distance with a cutoff and equality policy.

When to use this tool

Use Molecular Contact Cutoff Decision when you already have distance, cutoff, includeEquality and need to compare a supplied molecular distance with a cutoff and equality policy.

How to use the tool and how it works

  1. Enter distance, cutoff, includeEquality. Use the units and conventions below.
  2. Run the tool. Correct any format, range, or cross-field input error before interpreting the output.
  3. Read contact, margin. Inspect contact before interpreting the associated values.

Require distance/cutoff>=0; compare < or <= as includeEquality selects, and return cutoff-distance.1

Input fieldMeaning and unitsAccepted input
distanceDistanceRequired. Finite number; minimum 0.
cutoffCutoffRequired. Finite number; minimum 0.
includeEqualityInclude EqualityRequired. Boolean.
Output fieldInterpretationReturned shape
contactContactRequired. Boolean.
marginMarginRequired. Finite number.
json
{
  "input": {
    "distance": 4,
    "cutoff": 4,
    "includeEquality": true
  },
  "output": {
    "contact": true,
    "margin": 0
  }
}

Limitations and assumptions

  • No coordinates, contact chemistry, atom identity, interaction, physical significance or suitable cutoff is inferred.
  • Inputs must satisfy both the field types and the cross-field conditions above. Invalid input causes an error; a successful false flag or documented placeholder is a different result.
  • Numeric calculations use binary floating point unless exact decimal-integer arithmetic is explicitly stated. No hidden measurement tolerance or decimal rounding is added; nonfinite or out-of-contract results are rejected. Numeric signed-zero results are exported as zero.

Alternative or Complementary methods

Use the complete physical model, calibrated measurements and uncertainty analysis. Check reference states, photon-signal bases, diffusion assumptions and binding-constant conventions before interpreting local contributions as physical measurements.

References

  1. Calculation and input contract: biophysics/molecular-contact-cutoff-decision — tool.io

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