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