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Issue with structural scoring #6

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diallobakary4 opened this issue Jun 14, 2022 · 0 comments
Open

Issue with structural scoring #6

diallobakary4 opened this issue Jun 14, 2022 · 0 comments

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@diallobakary4
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The structural scoring doesn't seem to work with the example files with the Docker image while the seq-based one works file.
docker pull biofold/ddgun:full


Traceback (most recent call last):
  File "./ddgun_3d.py", line 651, in <module>
    l_data,l_hssp,lres_env=get_muts_score(chainfile,chain,dsspfile,hsspfile,muts,pots,d,win,outdir)
  File "./ddgun_3d.py", line 513, in get_muts_score
    d_rsa=get_dssp_rsa(dsspfile,chain,l_mut)
  File "./ddgun_3d.py", line 243, in get_dssp_rsa
    odssp=dssp.getAccfromNumbers(dsspfile,chain)
  File "/home/bass/ddgun/tools/dsspTools.py", line 74, in getAccfromNumbers
    dsspcontent=accNormList(dsspfile, chain, th_acc=0)
  File "/home/bass/ddgun/tools/dsspTools.py", line 95, in accNormList
    dsspcontent=readDSSP(dsspfile,chain)
  File "/home/bass/ddgun/tools/dsspTools.py", line 28, in readDSSP
    while(lines[l][:len_smatch] != start_match):

The error seems to come from the script: /home/bass/ddgun/tools/dsspTools.py and thing happens with a local build actually.
Full log of the run in attachment.
ddg.log

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