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Align pdb#165

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mgiulini wants to merge 41 commits intomainhaddocking/arctic3d:mainfrom align_pdbhaddocking/arctic3d:align_pdbCopy head branch name to clipboard

+498-91

Commits

Commits on Dec 6, 2022

• added first draft of renumbering of input pdb

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  dfb0091

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• added non-working test for renumber_pdb_from_uniprot

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  29c0349

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• added warning message

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  34ed74e

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• updated warning

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  7b8e999

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Commits on Mar 25, 2024

• fixed merge conflicts

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  4d67b8f

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Commits on Mar 26, 2024

• added logging msg to blast

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  2fda40a

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• added renumbering input pdb logic

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  aa1b408

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• removed duplicated os

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  b8a0c56

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• preprocessed input pdb

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Commits on Apr 2, 2024

• reduced verbosity

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  5f01e2c

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• removed fasta

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• improved pdb preprocessing in renumbering to uniprot

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• improved alignment functions

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• Merge branch 'main' into align_pdb

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  088d844

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Commits on Apr 4, 2024

• added check on cl_dict

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  59c656c

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• tripled output

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  0c67ca3

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• added extract_aln_string function

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  782a1d9

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• simplified alignment operations in pdb library

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  ae83cee

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• handled interface_file in new scenario

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  302356b

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• handled modified input arguments

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• handled new input

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• pdbpath to string

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  b9ff05b

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• corrected renumber_pdb_from_uniprot test

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  b109bbd

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• Merge branch 'align_pdb' of github.com:haddocking/arctic3d into align_pdb

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  e09eeb0

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• fixed formatting

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  d7e6830

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• Merge branch 'main' into align_pdb

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  997851f

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• fixed formatting

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  4af15b3

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• Merge branch 'align_pdb' of github.com:haddocking/arctic3d into align_pdb

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  ae36337

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Commits on Apr 17, 2024

• removed print

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  32ad374

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• add test_sequence

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  653e258

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• Merge branch 'main' into align_pdb

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  c85d1d7

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• changed chain of expected pdb

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  8817ecf

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• Merge branch 'align_pdb' of github.com:haddocking/arctic3d into align_pdb

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  9b576ce

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• added test_align_sequences

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  6d2b08a

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• blosum62 name

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  96b654f

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• more logic into main cli

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  fb68001

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• added fasta file in golden data

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  a3d0e33

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• Update examples.md

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Commits on Apr 18, 2024

• Update examples.md

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  5481ac3

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• corrected undefined uniprot ID

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Commits on Apr 19, 2024

• Update examples.md

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