From 75b87ca59e0efa58b46234c08940eb4641d64a37 Mon Sep 17 00:00:00 2001
From: Sara <sara.schulte@uni-duesseldorf.de>
Date: Tue, 4 Oct 2022 18:46:25 +0200
Subject: [PATCH] Add env to rule
---
Pipeline/Snakefile | 4 ++++
1 file changed, 4 insertions(+)
diff --git a/Pipeline/Snakefile b/Pipeline/Snakefile
index aaa256a..2079908 100644
--- a/Pipeline/Snakefile
+++ b/Pipeline/Snakefile
@@ -88,6 +88,8 @@ rule modify_ba_predictions_for_substrings:
config['output_dir'] + '/data/substr_modified_ba_prediction_data.pkl.gz'
params:
pep = define_param()
+ conda:
+ 'envs/ilp.yaml'
script:
'scripts/filter_substrings_in_ba_predictions.py'
@@ -100,6 +102,8 @@ rule set_index_in_ba_predictions:
config['output_dir'] + '/data/embedded_substr_modified_ba_prediction_data.pkl.gz'
params:
pep = peptides
+ conda:
+ 'envs/ilp.yaml'
script:
'scripts/binding_affinities_for_embedded_peptide.py'
--
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