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Using "trim_inverse" to specific epitope in Antigen for complex building, errored out.

Open PattisYang opened this issue 4 years ago • 0 comments

Expected Behavior

AlphaFold2_advanced.ipynb A:B:C = VH:VL:Antigen = 1:1:1 trim_inverse(checked), trim:A1-A(#end),B1-B(#end),C(#x)-C(#y) (#end)=last residue number; C(#x)-C(#y)=specified epitope in Antigen ##The purpose is to narrow down the complex binding surface to epitope region.

Current Behavior

##errored. program stopped. no results. error message below: ” KeyError Traceback (most recent call last) <ipython-input--***********> in () 11 #@markdown - qid minimum sequence identity with query (%) 12 ---> 13 mod_I = cf_af.prep_filter(I, trim, trim_inverse, cov, qid) 14 15 if I["msas"] != mod_I["msas"]:

1 frames /content/colabfold_alphafold.py in prep_filter(I, trim, trim_inverse, cov, qid, verbose) 504 if trim != "": 505 mod_I.update(trim_inputs(trim, mod_I["msas"], mod_I["deletion_matrices"], --> 506 mod_I["ori_sequence"], inverse=trim_inverse)) 507 508 mod_I["homooligomers"] = [mod_I["homooligomers"][c] for c in mod_I["chains"]]

/content/colabfold_alphafold.py in trim_inputs(trim, msas, deletion_matrices, ori_seq, inverse) 407 trim_idx_i = trim_idx_j = global_idx 408 if i != "" and i[0] in ascii_uppercase: --> 409 trim_idx_i,i = chain_idx[i[0]], i[1:] 410 if j != "" and j[0] in ascii_uppercase: 411 trim_idx_j,j = chain_idx[j[0]], j[1:]

KeyError: 'T' “

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PattisYang avatar Jan 08 '22 10:01 PattisYang