@datagrok/bio 2.15.12 → 2.15.13

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Files changed (6) hide show
  1. package/CHANGELOG.md +4 -0
  2. package/dist/package-test.js.map +1 -1
  3. package/dist/package.js +1 -1
  4. package/dist/package.js.map +1 -1
  5. package/package.json +1 -1
  6. package/src/utils/monomer-lib/monomer-manager/monomer-manager.ts +2 -1
package/package.json CHANGED
@@ -5,7 +5,7 @@
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  "name": "Aleksandr Tanas",
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  "email": "atanas@datagrok.ai"
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  },
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- "version": "2.15.12",
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+ "version": "2.15.13",
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  "description": "Bioinformatics support (import/export of sequences, conversion, visualization, analysis). [See more](https://github.com/datagrok-ai/public/blob/master/packages/Bio/README.md) for details.",
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  "repository": {
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  "type": "git",
package/src/utils/monomer-lib/monomer-manager/monomer-manager.ts CHANGED
@@ -974,7 +974,8 @@ function getCorrectedMolBlock(molBlock: string) {
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  const rgpLineIdx = lines.findIndex((line) => line.startsWith('M') && line.includes('RGP'));
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  if (rgpLineIdx === -1) {
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- const rgpLine = `M RGP ${rgroupLineNums.length} ${Object.entries(rgroupLineNumbers).map(([atomLine, rGroupNum]) => `${atomLine} ${rGroupNum}`).join(' ')}`;
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+ // number of r groups has 3 empty slots before it, atom numbers have 4 empty slots before them
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+ let rgpLine = `M RGP${rgroupLineNums.length.toString().padStart(3,' ')}${Object.entries(rgroupLineNumbers).map(([atomLine, rGroupNum]) => `${atomLine.toString().padStart(4, ' ')}${rGroupNum.toString().padStart(4, ' ')}`).join('')}`;
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  const mEndIdx = lines.findIndex((line) => line.startsWith('M') && line.includes('END'));
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  lines.splice(mEndIdx, 0, rgpLine);
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  }