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Not recognized molfile v3000 #140

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lpatiny opened this issue Oct 15, 2022 · 1 comment
Open

Not recognized molfile v3000 #140

lpatiny opened this issue Oct 15, 2022 · 1 comment

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@lpatiny
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lpatiny commented Oct 15, 2022

If the molfile v3000 contains some SGroup (in this case label=CN), OCL seems not able to load the file.

I did a commit with an example b224f87

openchemlib-js [main●] % node examples/v3000/load.js
molecule 0
moleculeNoSGroup 3
moleculeV2000 3

It is expected to give 3 times '3' and the first 'molecule' has '0' atoms.

@targos are you able to test with the last version ?
@targos
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targos commented Oct 16, 2022

PR to update to the latest version: #141

Output is the same.

@lpatiny lpatiny mentioned this issue Oct 16, 2022
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@lpatiny @targos