 Yana Rose
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41fbe0d2b7
update headers of modified files
|
il y a 2 ans |
|
Yana Rose
|
b302bb8455
parse header when reading PDB file
|
il y a 2 ans |
|
Alexander Rose
|
0a2a3530d1
fix handling of PDB TER records
|
il y a 2 ans |
|
Alexander Rose
|
1df5bd6d03
make use of PDB TER record
|
il y a 3 ans |
|
Alexander Rose
|
98b118fd1e
parse pdb conect records
|
il y a 4 ans |
|
Alexander Rose
|
1b67bc41f5
explicit pdbqt provider
|
il y a 5 ans |
|
Alexander Rose
|
5b698b816e
basic partial charge and pdbt support
|
il y a 5 ans |
|
David Sehnal
|
fb0634a0f4
added semicolons to linting rules
|
il y a 5 ans |
|
Alexander Rose
|
dd9773d72e
fix pdb parser: need cif-category not table
|
il y a 5 ans |
|
Alexander Rose
|
1293848d9b
refactored ModelFormat
|
il y a 5 ans |
|
Alexander Rose
|
f4beba5215
pdb-parser, aniso records
|
il y a 5 ans |
|
Alexander Rose
|
5d18643374
pdb-parser, move atom-site methods to separate file
|
il y a 5 ans |
|
Alexander Rose
|
e57a19857f
improved pdb reader, entity
|
il y a 5 ans |
|
Alexander Rose
|
55d990962f
better entity handling for pdb files
|
il y a 5 ans |
|
Alexander Rose
|
2c55165c84
use relative paths for module imports
|
il y a 6 ans |
|
Alexander Rose
|
6c2a6e3fa2
guessElement in gro reader
|
il y a 6 ans |
|
Alexander Rose
|
a4b1cdef16
better guess-element-symbol for pdb-to-cif
|
il y a 6 ans |
|
Alexander Rose
|
94031fb6d6
pdb parser todos
|
il y a 6 ans |
|
Alexander Rose
|
37e922815a
parse PDB helices and sheets
|
il y a 6 ans |
|
Alexander Rose
|
8eaf469914
use Sets instead of Arrays for model related names
|
il y a 6 ans |
|
David Sehnal
|
cf6f50260d
pdb parse MTRIX
|
il y a 6 ans |
|
David Sehnal
|
09d8be90ff
parse PDB assembly, various tweaks
|
il y a 6 ans |
|
David Sehnal
|
dc35fa2d5f
wip pdb parser
|
il y a 6 ans |
|
David Sehnal
|
916ef886f5
renamed model-parses to model-formats
|
il y a 6 ans |
