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_spec
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862c384dc0
Added the ability to handle v3000 sd files. Added a set of utility functions for parsing atoms and bonds from v3000 sd files. Updated the existing sdf parser to determine the version and run the v3000 sd file parser functions instead of the default v2000 ones. Added tests to verify parsing functionality for example v3000 ctab
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3 лет назад |
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ccp4
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42409a2bc7
lint: add array-bracket-spacing rule
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3 лет назад |
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cif
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6f159c592f
cleanup mmcif schema generation
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3 лет назад |
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common
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9fd95f1a11
handle missing occupancy column
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3 лет назад |
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csv
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0c0e995256
lint: add no-multi-spaces rule
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3 лет назад |
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cube
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aa1eb90f66
lint: add computed-property-spacing rule
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3 лет назад |
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dcd
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46fb1789b0
trajectory cell handling improvements
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4 лет назад |
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dsn6
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e2857d00b4
volume label improvements
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5 лет назад |
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dx
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e2857d00b4
volume label improvements
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5 лет назад |
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gro
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6c5224f33e
new linting rules
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4 лет назад |
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mol
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f9deb54352
FIX: Found the right tokenizer operations
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3 лет назад |
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mol2
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6c5224f33e
new linting rules
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4 лет назад |
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obj
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6c5224f33e
new linting rules
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4 лет назад |
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pdb
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1b67bc41f5
explicit pdbqt provider
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4 лет назад |
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ply
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6c5224f33e
new linting rules
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4 лет назад |
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psf
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01691f3050
lint: add keyword-spacing rule
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3 лет назад |
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sdf
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009a17a9ca
(forgot the author tag)
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3 лет назад |
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xtc
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908fff8041
lint: add prefer-const rule
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3 лет назад |
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xyz
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6a735d902e
fix XYZ parser bug
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4 лет назад |
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cif.ts
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6c5224f33e
new linting rules
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4 лет назад |
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result.ts
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fb0634a0f4
added semicolons to linting rules
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5 лет назад |
ptourlas
f9deb54352
FIX: Found the right tokenizer operations