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Libraries *.msl, *.msp - parse mol file (*.MOL) #716

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eselmeister opened this issue Aug 23, 2021 · 1 comment
Closed

Libraries *.msl, *.msp - parse mol file (*.MOL) #716

eselmeister opened this issue Aug 23, 2021 · 1 comment

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@eselmeister
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Additional molecular structure information for *.msl and *.msp files is stored in an accompanying file with the extension .mol. This information shall be parsed too, on demand. Example:

  • library.msl
  • library.mol

The molecular information shall be just parsed as a String. For further details of the MOL format see:

https://en.wikipedia.org/wiki/Chemical_table_file
@eselmeister
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Bildschirmfoto von 2021-08-23 12-57-47

Bildschirmfoto von 2021-08-23 13-46-37

Bildschirmfoto von 2021-08-23 13-46-47

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@eselmeister