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Support SDF-format for Indigo-Ketcher API #1217

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even1024 opened this issue Aug 8, 2023 · 0 comments · Fixed by #1223
Closed

Support SDF-format for Indigo-Ketcher API #1217

even1024 opened this issue Aug 8, 2023 · 0 comments · Fixed by #1223

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@even1024
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even1024 commented Aug 8, 2023

Background
Ketcher should support SDF import and export along with other formats

Solution
As Indigo supports SDF import and export it's necessary to add corresponding functionality into indigo service API and Indigo wasm module. Every chemical structure fragment should be converted as a separate molecule in SDF.
As SDF can have a set of properties for every MOL-fragment it's necessary to save it in KET in a form of an array in the molN block:

"mol0": {
"properties": [
    { "key": "key1", "value": "value1"},
    { "key": "key2", "value": "value2"},
    { "key": "key3", "value": "value3"}
]
}
@even1024 even1024 self-assigned this Aug 8, 2023
@even1024 even1024 added this to Product Backlog in Indigo via automation Aug 8, 2023
@even1024 even1024 added this to the Indigo-1.14.0-rc.1 milestone Aug 8, 2023
@even1024 even1024 moved this from Product Backlog to In progress in Indigo Aug 8, 2023
@even1024 even1024 linked a pull request Aug 14, 2023 that will close this issue
Indigo automation moved this from In progress to Done Aug 14, 2023
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