Add support for loading selection/highlight from CXSMILES and MDL Mol…#1246
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Add support for loading selection/highlight from CXSMILES and MDL Mol…#1246
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…files. - We have an existing interface IChemObjectSelection which support highlighting when rendering. These needed to be moved to the cdk-interfaces module. - In CXSMILES we can use the EPAM extension of ha: and hb: to load highlighted bonds/atoms - MDLV3000 has HILITE collection which we can use - Fix a bug with the writing of MDLV3000 stereo groups, the first digit needs to be the number of things in the set
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@egonw This is good to go |
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@egonw Could you merge this in at some point - I saw Steinbeck Labs' cheminformatics-microservice have also added support in a jank way (a seperate MDLHiliteParser). It make's much more sense to have it pushed down in the MDL and CXSMILES readers as it is here - thanks. |
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@johnmay, sorry, it have been three tough months... lost track on this one. |
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…files.