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hemahecodes/glide_analysis.sh

Created April 4, 2022 14:07
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Glide Docking Analysis
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glide_analysis.sh
SCHRODINGER="Path to Schrodinger"
$SCHRODINGER/utilities/glide_sort actives.maegz -o actives_sorted.mae -R
$SCHRODINGER/utilities/glide_sort decoys.maegz -o decoys_sorted.mae -R
$SCHRODINGER/glide_merge actives_sorted.mae decoys_sorted.mae -o glide_results.mae -R
$SCHRODINGER/run enrichment.py
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