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schwede
openstructure
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9cd9ae9a
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9cd9ae9a
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1 year ago
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Xavier Robin
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Xavier Robin
1 year ago
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doc: document end of support for compound libs < 1.5.0
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@@ -7,8 +7,10 @@ Changes in Release 2.6.0
* Chain mapping updates. Default chain mapping strategy now uses increased
sampling - only marginal runtime increase.
* The compound library now knows about SMILES strings and atom charges.
Backward compatible with older compound libraries.
* Compound library now reads the "InChI=" part of InChI codes.
Compound libraries created by OST 1.5.0 or later can still be read (SMILES
will be empty and charges set to 0, with a warning). Older files are no
longer supported.
* The compound library now reads the "InChI=" part of InChI codes.
* Several bug fixes and improvements.
Changes in Release 2.5.0
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