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