 Alexander Rose
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b53a52b04d
fix handling of pdb files with insertion codes
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hai 1 ano |
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Alexander Rose
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2c7d0a6721
comment
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%!s(int64=2) %!d(string=hai) anos |
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dsehnal
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afbb940721
headers
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%!s(int64=2) %!d(string=hai) anos |
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dsehnal
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f5c619a4c7
Fix Archive PDB assembly loading
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%!s(int64=2) %!d(string=hai) anos |
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Alexander Rose
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9a5b2edc08
cleanup unused variable
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%!s(int64=2) %!d(string=hai) anos |
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Alexander Rose
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1c9f3ed9fa
simplify ter record check
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%!s(int64=2) %!d(string=hai) anos |
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Alexander Rose
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0a2a3530d1
fix handling of PDB TER records
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%!s(int64=2) %!d(string=hai) anos |
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Alexander Rose
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1df5bd6d03
make use of PDB TER record
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%!s(int64=3) %!d(string=hai) anos |
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Alexander Rose
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8bd4221a85
improve pdb parsing
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%!s(int64=3) %!d(string=hai) anos |
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Alexander Rose
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9fd95f1a11
handle missing occupancy column
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%!s(int64=3) %!d(string=hai) anos |
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Alexander Rose
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fb7456286a
fix label_seq_id assignment when undefined column
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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10bd513680
refactored pdb format label_seq_id handling
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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5b698b816e
basic partial charge and pdbt support
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%!s(int64=4) %!d(string=hai) anos |
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David Sehnal
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fb0634a0f4
added semicolons to linting rules
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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e2abe0f52a
pdb-parser, atom-site fixes
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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5d18643374
pdb-parser, move atom-site methods to separate file
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%!s(int64=5) %!d(string=hai) anos |
