 Yana Rose
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41fbe0d2b7
update headers of modified files
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%!s(int64=2) %!d(string=hai) anos |
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Yana Rose
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b302bb8455
parse header when reading PDB file
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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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98b118fd1e
parse pdb conect records
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%!s(int64=4) %!d(string=hai) anos |
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Alexander Rose
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1b67bc41f5
explicit pdbqt provider
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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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dd9773d72e
fix pdb parser: need cif-category not table
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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1293848d9b
refactored ModelFormat
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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f4beba5215
pdb-parser, aniso records
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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 |
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Alexander Rose
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e57a19857f
improved pdb reader, entity
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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55d990962f
better entity handling for pdb files
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%!s(int64=5) %!d(string=hai) anos |
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Alexander Rose
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2c55165c84
use relative paths for module imports
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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6c2a6e3fa2
guessElement in gro reader
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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a4b1cdef16
better guess-element-symbol for pdb-to-cif
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%!s(int64=6) %!d(string=hai) anos |
|
Alexander Rose
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94031fb6d6
pdb parser todos
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%!s(int64=6) %!d(string=hai) anos |
|
Alexander Rose
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37e922815a
parse PDB helices and sheets
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%!s(int64=6) %!d(string=hai) anos |
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Alexander Rose
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8eaf469914
use Sets instead of Arrays for model related names
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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cf6f50260d
pdb parse MTRIX
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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09d8be90ff
parse PDB assembly, various tweaks
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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dc35fa2d5f
wip pdb parser
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%!s(int64=6) %!d(string=hai) anos |
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David Sehnal
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916ef886f5
renamed model-parses to model-formats
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%!s(int64=6) %!d(string=hai) anos |
