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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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пре 3 година |
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ccp4
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42409a2bc7
lint: add array-bracket-spacing rule
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пре 3 година |
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cif
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6f159c592f
cleanup mmcif schema generation
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пре 3 година |
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common
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9fd95f1a11
handle missing occupancy column
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пре 3 година |
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csv
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0c0e995256
lint: add no-multi-spaces rule
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пре 3 година |
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cube
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aa1eb90f66
lint: add computed-property-spacing rule
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пре 3 година |
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dcd
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46fb1789b0
trajectory cell handling improvements
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пре 4 година |
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dsn6
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e2857d00b4
volume label improvements
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пре 5 година |
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dx
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e2857d00b4
volume label improvements
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пре 5 година |
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gro
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6c5224f33e
new linting rules
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пре 4 година |
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mol
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f9deb54352
FIX: Found the right tokenizer operations
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пре 3 година |
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mol2
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6c5224f33e
new linting rules
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пре 4 година |
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obj
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6c5224f33e
new linting rules
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пре 4 година |
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pdb
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1b67bc41f5
explicit pdbqt provider
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пре 4 година |
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ply
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6c5224f33e
new linting rules
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пре 4 година |
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psf
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01691f3050
lint: add keyword-spacing rule
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пре 3 година |
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sdf
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009a17a9ca
(forgot the author tag)
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пре 3 година |
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xtc
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908fff8041
lint: add prefer-const rule
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пре 3 година |
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xyz
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6a735d902e
fix XYZ parser bug
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пре 4 година |
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cif.ts
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6c5224f33e
new linting rules
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пре 4 година |
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result.ts
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fb0634a0f4
added semicolons to linting rules
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пре 5 година |
ptourlas
f9deb54352
FIX: Found the right tokenizer operations