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Flex_ddG突变设计

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Flex_ddG突变设计
#1

Hi all:
I am using flex_ddG to enhance interface binding by mutating an amino acid on a small peptide, running rosetta gives me results, but when I run the analysis python script to try to analyze the results I get an error as follows.
Problem Description。

File" /home..../analyze_flex_ddG.py",line 215 ,in <module>

  analyze_output_folder(folder_to_analyze)

File " /home/..../analyze_flex_ddG.py",line 194,in analyze_output_folder

 ddg_score_dfs.append(apply_zemu_gam(ddg_scores))

File " /home../flex_ddG_turoial-master/analyze_flex_ddG.py",line,in apply_zemu_gam

  assert(score_term in scores.columns)

I've tried many times, has anyone had this problem? Thanks for the advice!

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Thu, 2022-05-05 02:46
wangtao