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Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules
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Add sdf2tinkerxyz compiled for macOS; automatically detect platform #41

Open zjp opened 4 years ago

zjp commented 4 years ago

Previously, this project included sdf2tinkerxyz but compiled for Linux. This commit includes sdf2tinkerxyz compiled for macOS, and includes a way to automatically detect which version is needed on the user's machine.

KristapsE commented 4 years ago

Did you recompile this from source? Or is it the binary from the original website? Adding a full MacOS support would be useful. Did the testing go ok? My machines are Linux and Windows, so I don't really have any way of checking this myself.

zjp commented 4 years ago

The binary from the original website did not work for me, so this is recompiled from source -- it worked on at least the two test molecule I gave it. The original sdf2tinkerxyz is unchanged except for being renamed so it should work for existing users seamlessly.

KristapsE commented 4 years ago

Great, that's all I needed to know, as someone else also had problems with the original binary. I'll check that it still works on Linux and merge it when I have a moment.