From 9d47b3061f36aeac7294b5853dd5da721a668e00 Mon Sep 17 00:00:00 2001
From: Jingfei Hou <houjf20@mails.tsinghua.edu.cn>
Date: Tue, 10 Oct 2023 08:50:42 +0000
Subject: [PATCH] Update seq_gen.py
---
seq_gen.py | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/seq_gen.py b/seq_gen.py
index 78ee1ae..cdeee87 100644
--- a/seq_gen.py
+++ b/seq_gen.py
@@ -31,7 +31,10 @@ def seq_score(input_cdr, gen_list, model, tar_emb, out_path):
df['seq'] = seq_com[0:-1]
df['score'] = scores[0:-1]
df.sort_values(by='score', inplace=True, ascending=False)
+ seq_highest = df['seq'].tolist()[0]
+ with open('structure_seq.txt', 'w') as f:
+ f.write(seq_highest+'\n')
input_seq = seq_com[-1]
scores = scores[-1]
df.loc[len(df.index)] = [input_seq, scores]
- df.to_csv(out_path, sep=',', index=False, header=True)
\ No newline at end of file
+ df.to_csv(out_path, sep=',', index=False, header=True)
--
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