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