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