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Commit d74c128

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Add missing dependency and remove temporary files
1 parent b271852 commit d74c128

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environment.yaml

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@@ -12,3 +12,4 @@ dependencies:
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- modeller
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- biopython
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- pytest
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- mdanalysis

prepmd/AAAA.seq

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prepmd/BBBB.seq

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prepmd/alignment.out

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pyproject.toml

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@@ -9,6 +9,7 @@ dependencies = [
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"pdbfixer",
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# "modeller",
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"biopython",
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"mdanalysis",
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# "requests",
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# "openmm==8.2.0",
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# "pdbfixer==1.11",

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