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Acellera / moleculekit

MoleculeKit: Your favorite molecule manipulation kit
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Fix printing of newlines in getOpenBabelProperties #96

Closed duerrsimon closed 2 years ago

duerrsimon commented 2 years ago

Thanks for this very nice library. A very annoying (but cosmetic only) thing is that when voxelizing many structures empty lines are printed for each call to this function if openbabel returns nothing.

This adds a little check for it and only prints the output if is not \n

stefdoerr commented 2 years ago

It's a bit of a pain to integrate PRs due to our licensing scheme (you'd need to sign license agreements etc, so it's not worth it for a one-liner). I reimplemented it in a bit of a different manner though in master now. Thanks!