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@@ -57,6 +57,11 @@ const SharedParams = {
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encoderName: `ModelServer ${Version}`
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};
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+const SharedLigandWritingParams = {
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+ ...SharedParams,
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+ hydrogens: true
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+}
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+
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function createEncoder(job: Job): Encoder {
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switch (job.responseFormat.encoding) {
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case 'bcif':
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@@ -68,17 +73,17 @@ function createEncoder(job: Job): Encoder {
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case 'sdf':
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ensureCompatibleQueryType(job);
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return SdfWriter.createEncoder({
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- ...SharedParams
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+ ...SharedLigandWritingParams
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});
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case 'mol':
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ensureCompatibleQueryType(job);
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return MolWriter.createEncoder({
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- ...SharedParams
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+ ...SharedLigandWritingParams
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});
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case 'mol2':
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ensureCompatibleQueryType(job);
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return Mol2Writer.createEncoder({
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- ...SharedParams
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+ ...SharedLigandWritingParams
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});
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default:
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return CifWriter.createEncoder({
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