Bioline Molecular Weight Calculator

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Bioline Molecular Weight Calculator

Accurate Calculation for DNA, RNA, and Protein Sequences

Molecular Weight Calculator

Enter the details of your bioline sequence to calculate its molecular weight.

DNA (Deoxyribonucleic Acid) RNA (Ribonucleic Acid) Protein (Peptide) Select the type of molecule you are calculating.
Enter the number of nucleotides in your sequence.
Sodium (Na+) Potassium (K+) Free Acid (H+) Select the counter-ion associated with the molecule.
The pH at which the molecule exists (important for ionization state).
Enter the total number of amino acids in the protein.
Count any chemical modifications to amino acids.

Calculation Results

Formula Used:

Molecular Weight Distribution

Visualizing the contribution of different components to the total molecular weight.
Molecular Composition Breakdown
Component Average Mass (Da) Contribution (Da)

{primary_keyword}

{primary_keyword} is a crucial calculation in molecular biology and biochemistry used to determine the mass of a specific biological molecule, such as DNA, RNA, or protein. This mass is typically expressed in Daltons (Da) or kilodaltons (kDa). Understanding the molecular weight is fundamental for various experimental procedures, including gel electrophoresis, mass spectrometry, and stoichiometric calculations for preparing solutions. It helps researchers quantify biomolecules, analyze their integrity, and design experiments accurately. Without a precise {primary_keyword}, experiments can yield incorrect results, leading to wasted resources and misinterpretations of biological processes. This calculation is vital for anyone working with nucleic acids or proteins in a laboratory setting.

Who Should Use It: Biologists, biochemists, molecular geneticists, pharmacologists, and students involved in life sciences research should use a {primary_keyword} tool. It's essential for anyone synthesizing or analyzing DNA/RNA oligos, designing PCR primers, working with recombinant proteins, or performing quantitative assays. Misconceptions about {primary_keyword} often arise from assuming a single, fixed value for all molecules of a given type, neglecting variations due to salt ions, pH, and specific modifications. It is not a generic weight but a calculated value specific to the molecule's state and composition. A correct {primary_keyword} ensures experimental reproducibility and valid scientific conclusions.

{primary_keyword} Formula and Mathematical Explanation

The calculation of molecular weight for bioline molecules depends on the molecule's type and its chemical environment. The general principle involves summing the atomic masses of all constituent atoms, adjusted for the loss of water molecules during polymerization and accounting for associated ions and ionization states.

DNA/RNA Molecular Weight Calculation

For DNA and RNA, the molecular weight is primarily determined by the number of nucleotides, the average molecular weight of a nucleotide, and adjustments for the salt form and pH. A simplified formula can be expressed as:

MW = (Length × Avg. Nucleotide MW) + Counter-ion Mass – (Length × H₂O Mass)

The formula is adjusted for the fact that each nucleotide monomer adds to the chain, but a water molecule is released during phosphodiester bond formation. The counter-ion mass is added to account for the charge neutralization necessary for the molecule to exist in a stable form.

Protein Molecular Weight Calculation

For proteins, the molecular weight is calculated based on the number of amino acids, the average weight of an amino acid residue, and accounting for the mass of water removed during peptide bond formation. Additional adjustments are made for any post-translational modifications.

MW = (Amino Acid Count × Avg. Amino Acid Residue MW) + Modifications MW – ((Amino Acid Count – 1) × H₂O Mass)

The "-1" in the water molecule count accounts for the fact that only N-1 water molecules are lost for N amino acids forming peptide bonds.

Variable Explanations

Here's a breakdown of the key variables used in these calculations:

Variable Meaning Unit Typical Range
Sequence Type Type of biomolecule (DNA, RNA, Protein) N/A DNA, RNA, Protein
Sequence Length / Amino Acid Count Number of nucleotides or amino acids Count 1 to thousands
Avg. Nucleotide MW Average molecular weight per nucleotide (includes base, sugar, phosphate) Daltons (Da) ~300-330 Da (DNA), ~310-340 Da (RNA)
Avg. Amino Acid Residue MW Average molecular weight per amino acid residue (after water loss) Daltons (Da) ~110 Da
Salt Form Associated counter-ion (e.g., Na+, K+, H+) N/A Na+, K+, H+
Counter-ion Mass Molecular weight of the associated counter-ion(s) Daltons (Da) Na+: 22.99, K+: 39.10, H+: 1.01
H₂O Mass Molecular weight of water Daltons (Da) 18.015
pH Value Acidity or alkalinity of the solution N/A 0-14
Modifications MW Total molecular weight of post-translational modifications Daltons (Da) Variable, depends on modification

Practical Examples (Real-World Use Cases)

Example 1: DNA Oligonucleotide Synthesis

A researcher orders a 50-mer DNA oligonucleotide for a PCR experiment. The sequence is designed to be in its sodium salt form. They need to know its molecular weight to calculate the concentration of a stock solution.

Inputs:

  • Sequence Type: DNA
  • Sequence Length: 50 nucleotides
  • Salt Form: Sodium (Na+)
  • pH Value: 7.0 (assumed for calculation, minimal impact on DNA MW itself but relevant for context)

Calculation Steps (Simplified):

  • Average DNA nucleotide MW: ~310 Da
  • Average Na+ mass: ~22.99 Da
  • Water mass: ~18.015 Da
  • Total Nucleotide Mass = 50 * 310 Da = 15500 Da
  • Total Water Loss = 50 * 18.015 Da = 900.75 Da
  • Molecular Weight = 15500 Da – 900.75 Da + 22.99 Da = 14622.24 Da

Output: Approximate Molecular Weight ≈ 14,622 Da. This value is crucial for preparing accurate molar solutions. For instance, to make a 1 µM solution, one would need to know this precise mass to weigh out the correct amount.

Example 2: Recombinant Protein Expression

A lab expresses a short peptide chain, a protein, consisting of 30 amino acids. It has one phosphorylation modification. They need to estimate its molecular weight for SDS-PAGE analysis.

Inputs:

  • Sequence Type: Protein
  • Number of Amino Acids: 30
  • Number of Post-Translational Modifications: 1 (Phosphorylation, MW ≈ 80 Da)

Calculation Steps (Simplified):

  • Average amino acid residue MW: ~110 Da
  • Water mass: ~18.015 Da
  • Total Amino Acid Mass = 30 * 110 Da = 3300 Da
  • Total Water Loss = (30 – 1) * 18.015 Da = 29 * 18.015 Da = 522.435 Da
  • Modification Mass (Phosphorylation): ~80 Da
  • Molecular Weight = 3300 Da – 522.435 Da + 80 Da = 2857.565 Da

Output: Approximate Molecular Weight ≈ 2,858 Da. This estimate helps predict how the protein will migrate on an SDS-PAGE gel, aiding in verifying successful expression and purification.

How to Use This {primary_keyword} Calculator

  1. Select Sequence Type: Choose 'DNA', 'RNA', or 'Protein' from the dropdown menu.
  2. Input Sequence Details:
    • For DNA/RNA: Enter the sequence length (number of nucleotides), select the salt form (e.g., Sodium), and provide the pH value.
    • For Proteins: Enter the total number of amino acids and the count of any post-translational modifications.
  3. Initiate Calculation: Click the 'Calculate' button.

Reading Results: The calculator will display:

  • The primary highlighted result: The estimated total molecular weight in Daltons (Da).
  • Intermediate values: Such as the base mass of the polymer, the mass contributed by counter-ions or modifications, and the mass adjustment for water loss.
  • The formula used for clarity.
  • A composition table breaking down contributions.
  • A dynamic chart visualizing the mass distribution.

Decision Making: Use the calculated molecular weight for:

  • Preparing solutions of a specific molar concentration.
  • Predicting migration patterns in gel electrophoresis.
  • Quantifying biomolecules in samples.
  • Confirming the identity and integrity of synthesized or purified biomolecules.
The 'Copy Results' button allows you to easily transfer these values to your lab notebook or analysis software.

Key Factors That Affect {primary_keyword} Results

  1. Sequence Length/Amino Acid Count: This is the most significant factor. Longer sequences naturally have higher molecular weights. This calculator uses average values per monomer.
  2. Type of Monomer: DNA, RNA, and different amino acids have distinct average molecular weights, directly influencing the total mass.
  3. Salt Form and Counter-ions: Nucleic acids are negatively charged and require counter-ions (like Na+, K+) for stability. The mass of these ions contributes to the overall measured weight. The specific ion (e.g., Na+ vs K+) can cause slight variations.
  4. pH Value: While less impactful on DNA/RNA MW directly in standard ranges, pH affects the protonation state of phosphate groups and bases, which can subtly alter the effective mass and solubility. For proteins, pH significantly influences amino acid ionization.
  5. Post-Translational Modifications (PTMs): For proteins, PTMs like phosphorylation, glycosylation, acetylation, etc., add significant mass. Each modification has a specific weight that must be accounted for.
  6. Isotopic Composition: Standard calculations use average atomic weights. However, molecules can contain different isotopes (e.g., ¹³C instead of ¹²C), leading to slightly higher masses, especially relevant in high-resolution mass spectrometry.
  7. Hydration Shell: In solution, biomolecules are surrounded by water molecules. While not typically included in basic MW calculations, the "hydrated mass" can be relevant in certain biophysical studies.
  8. Chemical Modifications: Beyond PTMs, synthetic oligonucleotides might undergo chemical modifications (e.g., fluorescent labels, modified bases) that add specific molecular weights.

Frequently Asked Questions (FAQ)

Q: What is the difference between molecular weight and molar mass?
Molecular weight is typically expressed in Daltons (Da) and refers to the mass of a single molecule. Molar mass is the mass of one mole of a substance and is expressed in grams per mole (g/mol). Numerically, they are equivalent (1 Da = 1 g/mol).
Q: Does the sequence sequence matter for DNA/RNA molecular weight?
For a given length, the exact sequence of DNA or RNA does not significantly alter the calculated molecular weight because the average masses of the four standard nucleotides (A, T/U, C, G) are very similar. This calculator uses average values.
Q: Why is the salt form important for nucleic acids?
Nucleic acids have a strong negative charge due to their phosphate backbone. To maintain neutrality and stability, they associate with positively charged counter-ions (like Na+ or K+). The mass of these ions is part of the molecule's total mass in its physiological or experimental state.
Q: How does pH affect protein molecular weight calculations?
pH affects the ionization state of amino acid side chains (e.g., aspartic acid, glutamic acid, histidine, lysine, arginine). While the total number of atoms remains the same, changes in protonation can affect the precise mass and are critical for understanding protein behavior and interactions, though standard MW calculations often use average neutral residue weights.
Q: Can I calculate the molecular weight of modified bases or amino acids?
This calculator uses average masses for standard DNA/RNA nucleotides and amino acids. For molecules with non-standard bases (e.g., methylated cytosine) or chemically modified amino acids, you would need to use their specific atomic masses to calculate the modified molecular weight.
Q: What does "Da" stand for?
Da stands for Dalton, the standard unit of molecular mass. It is approximately equal to the mass of one hydrogen atom. Kilodaltons (kDa) are commonly used for larger biomolecules (1 kDa = 1000 Da).
Q: Is the calculated molecular weight exact?
This calculator provides an excellent estimate using average isotopic masses and common values. For absolute precision, especially in mass spectrometry, you would use the exact isotopic masses of each atom in the molecule.
Q: How do I use molecular weight to calculate concentration?
To prepare a solution of a specific molarity (M), you need the molecular weight (MW in g/mol or Da). The formula is: Mass (g) = Molarity (mol/L) × Volume (L) × Molecular Weight (g/mol). For example, to make 1 L of a 0.01 M solution of a molecule with MW = 10,000 Da (or g/mol), you would need 0.01 mol/L * 1 L * 10,000 g/mol = 100 g. Adjust units accordingly for smaller volumes or concentrations.
// — Constants and Average Values — var AVG_DNA_NUCLEOTIDE_MASS = 310.0; // Average mass of a DNA nucleotide (monophosphate) in Daltons var AVG_RNA_NUCLEOTIDE_MASS = 325.0; // Average mass of an RNA nucleotide (monophosphate) in Daltons var AVG_AMINO_ACID_RESIDUE_MASS = 110.0; // Average mass of an amino acid residue (after water loss) in Daltons var WATER_MASS = 18.015; // Mass of a water molecule in Daltons var SODIUM_MASS = 22.99; // Mass of a Sodium ion (Na+) in Daltons var POTASSIUM_MASS = 39.10; // Mass of a Potassium ion (K+) in Daltons var HYDROGEN_MASS = 1.01; // Mass of a Hydrogen ion (H+) in Daltons // — Modification Masses (Example) — // These are approximate and can vary. For precise calculations, specific mass data is needed. var PHOSPHORYLATION_MASS = 80.0; // Approximate mass of a phosphate group addition // — Input Element References — var sequenceTypeSelect = document.getElementById('sequenceType'); var sequenceLengthInput = document.getElementById('sequenceLength'); var saltFormSelect = document.getElementById('saltForm'); var phInput = document.getElementById('ph'); var aminoAcidCountInput = document.getElementById('aminoAcidCount'); var modificationsInput = document.getElementById('modifications'); // — Result Element References — var resultSection = document.getElementById('resultSection'); var primaryResultDiv = document.getElementById('primaryResult'); var intermediateResult1Div = document.getElementById('intermediateResult1'); var intermediateResult2Div = document.getElementById('intermediateResult2'); var intermediateResult3Div = document.getElementById('intermediateResult3'); var formulaTextSpan = document.getElementById('formulaText'); var compositionTableBody = document.getElementById('compositionTable').getElementsByTagName('tbody')[0]; var mwChartCanvas = document.getElementById('mwChart'); var mwChartInstance = null; // To hold the chart instance // — Initialization — updateInputLabels(); resetCalculator(); // Set initial defaults // — Event Listeners (for real-time updates) — sequenceLengthInput.addEventListener('input', calculateMolecularWeight); saltFormSelect.addEventListener('change', calculateMolecularWeight); phInput.addEventListener('input', calculateMolecularWeight); aminoAcidCountInput.addEventListener('input', calculateMolecularWeight); modificationsInput.addEventListener('input', calculateMolecularWeight); sequenceTypeSelect.addEventListener('change', function() { updateInputLabels(); calculateMolecularWeight(); // Recalculate when type changes }); function toggleFaq(element) { var answer = element.nextElementSibling; var faqItems = element.closest('.faq-list').querySelectorAll('.faq-answer'); // Close other answers for (var i = 0; i < faqItems.length; i++) { if (faqItems[i] !== answer && faqItems[i].classList.contains('visible')) { faqItems[i].classList.remove('visible'); faqItems[i].previousElementSibling.querySelector('.faq-question').style.fontWeight = 'bold'; } } // Toggle current answer answer.classList.toggle('visible'); if (answer.classList.contains('visible')) { element.style.fontWeight = 'normal'; // Or any other style to indicate it's open } else { element.style.fontWeight = 'bold'; } } function updateInputLabels() { var sequenceType = sequenceTypeSelect.value; var nucleotideInputs = document.getElementById('nucleotideSpecificInputs'); var proteinInputs = document.getElementById('proteinSpecificInputs'); if (sequenceType === 'dna' || sequenceType === 'rna') { nucleotideInputs.style.display = 'block'; proteinInputs.style.display = 'none'; document.querySelector('#nucleotideSpecificInputs label[for="sequenceLength"]').textContent = sequenceType.toUpperCase() + " Sequence Length (nucleotides)"; } else { // protein nucleotideInputs.style.display = 'none'; proteinInputs.style.display = 'block'; document.querySelector('#proteinSpecificInputs label[for="aminoAcidCount"]').textContent = "Number of Amino Acids"; } // Clear and reset relevant fields when type changes sequenceLengthInput.value = ''; aminoAcidCountInput.value = ''; phInput.value = ''; saltFormSelect.value = 'na'; modificationsInput.value = '0'; hideErrorMessages(); resultSection.style.display = 'none'; // Hide results when type changes } function hideErrorMessages() { var errorMessages = document.querySelectorAll('.error-message'); for (var i = 0; i < errorMessages.length; i++) { errorMessages[i].classList.remove('visible'); errorMessages[i].textContent = ''; } } function validateInput(id, min, max, isInteger) { var input = document.getElementById(id); var value = parseFloat(input.value); var errorSpan = document.getElementById(id + 'Error'); var isValid = true; errorSpan.textContent = ''; errorSpan.classList.remove('visible'); input.style.borderColor = 'var(–border-color)'; // Reset border color if (input.value === '') { errorSpan.textContent = 'This field is required.'; isValid = false; } else if (isNaN(value)) { errorSpan.textContent = 'Please enter a valid number.'; isValid = false; } else { if (isInteger && !Number.isInteger(value)) { errorSpan.textContent = 'Please enter a whole number.'; isValid = false; } if (min !== undefined && value max) { errorSpan.textContent = 'Value cannot be greater than ' + max + '.'; isValid = false; } } if (!isValid) { errorSpan.classList.add('visible'); input.style.borderColor = '#dc3545'; // Red border for error } return isValid; } function calculateMolecularWeight() { hideErrorMessages(); var sequenceType = sequenceTypeSelect.value; var moleculeMass = 0; var baseMass = 0; var waterLossMass = 0; var additionalMass = 0; // For counter-ions or modifications var formulaParts = []; var compositionData = []; var chartData = []; var isValid = true; // — Input Validation — if (sequenceType === 'dna' || sequenceType === 'rna') { isValid = validateInput('sequenceLength', 1, undefined, true) && isValid; isValid = validateInput('ph', 0, 14, false) && isValid; // pH validation if (!isValid) return; var length = parseFloat(sequenceLengthInput.value); var avgNucleotideMass = (sequenceType === 'dna') ? AVG_DNA_NUCLEOTIDE_MASS : AVG_RNA_NUCLEOTIDE_MASS; var saltForm = saltFormSelect.value; baseMass = length * avgNucleotideMass; waterLossMass = (length > 0) ? (length * WATER_MASS) : 0; // Subtract water for each added nucleotide after the first switch (saltForm) { case 'na': additionalMass = length * SODIUM_MASS; // Assume one Na+ per phosphate formulaParts.push(length + " x " + avgNucleotideMass.toFixed(1) + " (Avg " + sequenceType.toUpperCase() + " Nucleotide)"); formulaParts.push("- " + length + " x " + WATER_MASS.toFixed(2) + " (H₂O Loss)"); formulaParts.push("+ " + length + " x " + SODIUM_MASS.toFixed(2) + " (Na+ Counter-ion)"); compositionData.push({ component: "Avg " + sequenceType.toUpperCase() + " Nucleotide", mass: avgNucleotideMass.toFixed(1) }); compositionData.push({ component: "Na+ Counter-ion", mass: SODIUM_MASS.toFixed(2) }); chartData.push({ label: "Nucleotides", value: baseMass }); chartData.push({ label: "Na+ Ions", value: additionalMass }); break; case 'k': additionalMass = length * POTASSIUM_MASS; formulaParts.push(length + " x " + avgNucleotideMass.toFixed(1) + " (Avg " + sequenceType.toUpperCase() + " Nucleotide)"); formulaParts.push("- " + length + " x " + WATER_MASS.toFixed(2) + " (H₂O Loss)"); formulaParts.push("+ " + length + " x " + POTASSIUM_MASS.toFixed(2) + " (K+ Counter-ion)"); compositionData.push({ component: "Avg " + sequenceType.toUpperCase() + " Nucleotide", mass: avgNucleotideMass.toFixed(1) }); compositionData.push({ component: "K+ Counter-ion", mass: POTASSIUM_MASS.toFixed(2) }); chartData.push({ label: "Nucleotides", value: baseMass }); chartData.push({ label: "K+ Ions", value: additionalMass }); break; case 'h': // Free acid form has free protons, often minimal direct mass added in simple calc, // but reflects the unneutralized phosphate. // For simplicity, we won't add a specific H+ mass here as it's complex ionization. // The formula reflects the structure without significant bound cation mass. additionalMass = 0; // Simplified – Actual H+ impact is complex ionization formulaParts.push(length + " x " + avgNucleotideMass.toFixed(1) + " (Avg " + sequenceType.toUpperCase() + " Nucleotide)"); formulaParts.push("- " + length + " x " + WATER_MASS.toFixed(2) + " (H₂O Loss)"); // formulaParts.push("+ " + length + " x " + HYDROGEN_MASS.toFixed(2) + " (H+ Associations – simplified)"); // Avoid this for clarity compositionData.push({ component: "Avg " + sequenceType.toUpperCase() + " Nucleotide", mass: avgNucleotideMass.toFixed(1) }); chartData.push({ label: "Nucleotides", value: baseMass }); break; } // Add water loss to composition if applicable if (waterLossMass > 0) { compositionData.push({ component: "Water Loss", mass: (-waterLossMass).toFixed(2) }); } chartData.push({ label: "Water Loss", value: -waterLossMass }); } else { // protein isValid = validateInput('aminoAcidCount', 1, undefined, true) && isValid; isValid = validateInput('modifications', 0, undefined, true) && isValid; if (!isValid) return; var aminoAcidCount = parseFloat(aminoAcidCountInput.value); var numModifications = parseFloat(modificationsInput.value); baseMass = aminoAcidCount * AVG_AMINO_ACID_RESIDUE_MASS; // Water loss is (N-1) for N amino acids forming peptide bonds waterLossMass = (aminoAcidCount > 1) ? ((aminoAcidCount – 1) * WATER_MASS) : 0; var modificationMass = 0; if (numModifications > 0) { // For simplicity, assume all modifications are phosphorylation. // A real calculator might allow specifying modification type. modificationMass = numModifications * PHOSPHORYLATION_MASS; formulaParts.push(aminoAcidCount + " x " + AVG_AMINO_ACID_RESIDUE_MASS.toFixed(1) + " (Avg AA Residue)"); formulaParts.push("- (" + (aminoAcidCount – 1) + ") x " + WATER_MASS.toFixed(2) + " (H₂O Loss)"); formulaParts.push("+ " + numModifications + " x " + PHOSPHORYLATION_MASS.toFixed(1) + " (PTM – Phosphorylation)"); compositionData.push({ component: "Avg AA Residue", mass: AVG_AMINO_ACID_RESIDUE_MASS.toFixed(1) }); compositionData.push({ component: "PTM (Phosphorylation)", mass: modificationMass.toFixed(1) }); chartData.push({ label: "Amino Acids", value: baseMass }); chartData.push({ label: "PTMs", value: modificationMass }); } else { formulaParts.push(aminoAcidCount + " x " + AVG_AMINO_ACID_RESIDUE_MASS.toFixed(1) + " (Avg AA Residue)"); formulaParts.push("- (" + (aminoAcidCount – 1) + ") x " + WATER_MASS.toFixed(2) + " (H₂O Loss)"); compositionData.push({ component: "Avg AA Residue", mass: AVG_AMINO_ACID_RESIDUE_MASS.toFixed(1) }); chartData.push({ label: "Amino Acids", value: baseMass }); } if (waterLossMass > 0) { compositionData.push({ component: "Water Loss", mass: (-waterLossMass).toFixed(2) }); chartData.push({ label: "Water Loss", value: -waterLossMass }); } additionalMass = modificationMass; } if (!isValid) return; // Stop if validation failed // — Final Calculation — moleculeMass = baseMass + additionalMass – waterLossMass; // — Update Results Display — primaryResultDiv.textContent = moleculeMass.toFixed(2) + " Da"; if (sequenceType === 'dna' || sequenceType === 'rna') { intermediateResult1Div.innerHTML = "Base Polymer Mass: " + baseMass.toFixed(2) + " Da"; intermediateResult2Div.innerHTML = "Mass from Counter-ions: " + additionalMass.toFixed(2) + " Da"; intermediateResult3Div.innerHTML = "Mass Adjustment (Water Loss): " + (-waterLossMass).toFixed(2) + " Da"; formulaTextSpan.textContent = "MW = (" + length + " x Avg " + sequenceType.toUpperCase() + " MW) + Counter-ion Mass – (" + length + " x H₂O Mass)"; } else { // protein intermediateResult1Div.innerHTML = "Base Polymer Mass: " + baseMass.toFixed(2) + " Da"; intermediateResult2Div.innerHTML = "Mass from Modifications: " + additionalMass.toFixed(2) + " Da"; intermediateResult3Div.innerHTML = "Mass Adjustment (Water Loss): " + (-waterLossMass).toFixed(2) + " Da"; formulaTextSpan.textContent = "MW = (" + aminoAcidCount + " x Avg AA Residue MW) + Modification Mass – (" + (aminoAcidCount – 1) + " x H₂O Mass)"; } // — Update Composition Table — compositionTableBody.innerHTML = "; // Clear previous rows compositionData.forEach(function(item) { var row = compositionTableBody.insertRow(); var cell1 = row.insertCell(0); var cell2 = row.insertCell(1); var cell3 = row.insertCell(2); cell1.textContent = item.component; cell2.textContent = item.mass.replace('-', "); // Show positive mass contribution cell3.textContent = item.mass + " Da"; }); // — Update Chart — updateChart(chartData); resultSection.style.display = 'block'; } function updateChart(data) { if (mwChartInstance) { mwChartInstance.destroy(); // Destroy previous chart instance if it exists } var ctx = mwChartCanvas.getContext('2d'); // Filter out zero or negative contributions for clarity in pie chart, except water loss if it's the only negative. var relevantData = data.filter(function(item) { return item.value !== 0; }); // If only water loss is present, show it. Otherwise, ensure positive contributions are shown. if (relevantData.length === 0 && data.some(function(item){ return item.label === "Water Loss" && item.value < 0;})) { relevantData = data.filter(function(item) { return item.label === "Water Loss"; }); } var totalMass = relevantData.reduce(function(sum, item) { return sum + Math.abs(item.value); }, 0); // Define colors for chart segments var backgroundColors = [ 'rgba(0, 74, 153, 0.7)', // Primary Blue 'rgba(40, 167, 69, 0.7)', // Success Green 'rgba(108, 117, 125, 0.7)', // Muted Gray (for Water Loss) 'rgba(255, 193, 7, 0.7)', // Warning Yellow 'rgba(23, 162, 184, 0.7)', // Info Cyan 'rgba(102, 51, 153, 0.7)' // Purple ]; var borderColors = [ 'rgba(0, 74, 153, 1)', 'rgba(40, 167, 69, 1)', 'rgba(108, 117, 125, 1)', 'rgba(255, 193, 7, 1)', 'rgba(23, 162, 184, 1)', 'rgba(102, 51, 153, 1)' ]; var chartLabels = []; var chartValues = []; var segmentBackgroundColors = []; var segmentBorderColors = []; relevantData.forEach(function(item, index) { chartLabels.push(item.label + ' (' + Math.abs(item.value).toFixed(1) + ' Da)'); chartValues.push(item.value); // Push the actual value (can be negative for water loss) segmentBackgroundColors.push(backgroundColors[index % backgroundColors.length]); segmentBorderColors.push(borderColors[index % borderColors.length]); }); // Add a segment for water loss if it exists and wasn't already added var waterLossExists = relevantData.some(function(item){ return item.label === "Water Loss"; }); if (data.some(function(item){ return item.label === "Water Loss" && item.value < 0 && !relevantData.some(function(rl){ return rl.label === "Water Loss";});})) { var wlItem = data.find(function(item){ return item.label === "Water Loss"; }); chartLabels.push(wlItem.label + ' (' + Math.abs(wlItem.value).toFixed(1) + ' Da)'); chartValues.push(wlItem.value); segmentBackgroundColors.push(backgroundColors[backgroundColors.length – 2]); // Use gray for water loss segmentBorderColors.push(borderColors[borderColors.length – 2]); } mwChartInstance = new Chart(ctx, { type: 'pie', // Pie chart is suitable for showing contributions data: { labels: chartLabels, datasets: [{ label: 'Mass Contribution', data: chartValues, backgroundColor: segmentBackgroundColors, borderColor: segmentBorderColors, borderWidth: 1 }] }, options: { responsive: true, maintainAspectRatio: true, plugins: { legend: { position: 'top', }, title: { display: true, text: 'Molecular Weight Breakdown' }, tooltip: { callbacks: { label: function(context) { var label = context.label || ''; if (label) { label += ': '; } if (context.parsed !== null) { label += context.parsed.toFixed(2) + ' Da'; } return label; } } } } } }); } function resetCalculator() { sequenceTypeSelect.value = 'dna'; sequenceLengthInput.value = '50'; saltFormSelect.value = 'na'; phInput.value = '7.0'; aminoAcidCountInput.value = '30'; modificationsInput.value = '0'; updateInputLabels(); // Update display based on new type hideErrorMessages(); calculateMolecularWeight(); // Recalculate with default values } function copyResults() { var sequenceType = sequenceTypeSelect.value; var primaryResult = primaryResultDiv.textContent; var intermediate1 = intermediateResult1Div.textContent; var intermediate2 = intermediateResult2Div.textContent; var intermediate3 = intermediateResult3Div.textContent; var formula = formulaTextSpan.textContent; var compositionRows = compositionTableBody.rows; var compositionText = "Composition:\n"; for (var i = 0; i < compositionRows.length; i++) { compositionText += "- " + compositionRows[i].cells[0].textContent + ": " + compositionRows[i].cells[2].textContent + "\n"; } var copyText = "— Bioline Molecular Weight Calculation Results —\n\n"; copyText += "Sequence Type: " + sequenceType.toUpperCase() + "\n"; if (sequenceType === 'dna' || sequenceType === 'rna') { copyText += "Sequence Length: " + sequenceLengthInput.value + " nucleotides\n"; copyText += "Salt Form: " + saltFormSelect.options[saltFormSelect.selectedIndex].text + "\n"; copyText += "pH: " + phInput.value + "\n"; } else { copyText += "Amino Acid Count: " + aminoAcidCountInput.value + "\n"; copyText += "Modifications: " + modificationsInput.value + "\n"; } copyText += "\n"; copyText += "Molecular Weight: " + primaryResult + "\n\n"; copyText += intermediate1 + "\n"; copyText += intermediate2 + "\n"; copyText += intermediate3 + "\n\n"; copyText += formula + "\n\n"; copyText += compositionText; navigator.clipboard.writeText(copyText).then(function() { // Optional: Show a confirmation message var btn = document.getElementById('copyBtn'); btn.textContent = 'Copied!'; setTimeout(function() { btn.textContent = 'Copy Results'; }, 2000); }).catch(function(err) { console.error('Could not copy text: ', err); alert('Failed to copy results. Please copy manually.'); }); } // — Chart.js Integration — // Load Chart.js library dynamically if not already present if (typeof Chart === 'undefined') { var script = document.createElement('script'); script.src = 'https://cdn.jsdelivr.net/npm/chart.js'; script.onload = function() { console.log('Chart.js loaded.'); // Initial calculation to draw the chart on load if defaults are set calculateMolecularWeight(); }; document.head.appendChild(script); } else { // If Chart.js is already loaded, call calculateMolecularWeight to draw the chart calculateMolecularWeight(); }

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