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