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Basic implementation #1

Merged
merged 16 commits into from
Jan 13, 2020
Merged

Basic implementation #1

merged 16 commits into from
Jan 13, 2020

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rchristie
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Note this will need enhancement to use output of mbfxml2ex (with groups) as it will need to convert contour points to datapoints, and can't read 1-D lines into same region as model.

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A few minor things that I think are worth changing.

src/scaffoldfitter/__init__.py Outdated Show resolved Hide resolved
src/scaffoldfitter/utils/zinc_utils.py Outdated Show resolved Hide resolved
setup.py Outdated Show resolved Hide resolved
@rchristie rchristie merged commit ec65718 into ABI-Software:master Jan 13, 2020
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