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My pull request #418
should do just that when its done or am I missing something ?
I will start working on that soon as I also need those functionalities.
My apologies for taking so long.
You are right, I forgot this PR exists. Since I also need support for multi-entry SDF files, I would git cherry-pick the your related commits from the PR and finalize the feature. Then you can still continue working on xyz and mol2 format.
Currently
MolFile
already has also rudimentary support for files in SDF format. However, there is no support forA new
SDFile
class should be able to solve this issue.The text was updated successfully, but these errors were encountered: