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python GSM with Openbabel would be easy #1

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craldaz opened this issue Oct 10, 2018 · 0 comments
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python GSM with Openbabel would be easy #1

craldaz opened this issue Oct 10, 2018 · 0 comments

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@craldaz
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craldaz commented Oct 10, 2018

I played around with the idea of writing GSM in python and I don't think it would be that difficult since openbabel has most of the basic utilities, and all of the logic is already worked out.

Take a look at the ICoord class I've written so far and you can see some interesting ways that python makes the code simpler.
@paulzim46

@craldaz craldaz closed this as completed Oct 20, 2018
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