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