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