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_spec
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42409a2bc7
lint: add array-bracket-spacing rule
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3 anni fa |
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basic
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7384bebf4e
Fix some cyclic imports & reduce const enum usage (#680)
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2 anni fa |
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common
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0a2a3530d1
fix handling of PDB TER records
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2 anni fa |
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pdb
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2c7d0a6721
comment
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1 anno fa |
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property
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f543fd5683
exports
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1 anno fa |
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cif-core.ts
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652f6c651b
fix wrong element assignment
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3 anni fa |
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cube.ts
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bf4e5ed7c2
normalize mmcif data
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3 anni fa |
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dcd.ts
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3dfafc3202
handle cell angles close to zero in dcd reader
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3 anni fa |
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gro.ts
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652f6c651b
fix wrong element assignment
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3 anni fa |
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mmcif.ts
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6333c8073f
Add optional CifFile to MmcifFormat.data (#912)
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1 anno fa |
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mol.ts
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46026e047e
set some IndexPairBonds maxDistance to Infinity
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2 anni fa |
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mol2.ts
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46026e047e
set some IndexPairBonds maxDistance to Infinity
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2 anni fa |
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nctraj.ts
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55ff1d4999
add nctraj format support
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3 anni fa |
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pdb.ts
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bf4e5ed7c2
normalize mmcif data
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3 anni fa |
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prmtop.ts
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511c839237
add prmtop format support
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3 anni fa |
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psf.ts
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652f6c651b
fix wrong element assignment
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3 anni fa |
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sdf.ts
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e03b689f27
add SdfFormat
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3 anni fa |
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top.ts
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b3b4692237
add top format support
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3 anni fa |
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trr.ts
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384cd6e5d9
add trr format support
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3 anni fa |
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util.ts
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14e6172c33
add some elements name for `guessElementSymbolString` function (#883)
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1 anno fa |
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xtc.ts
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987c9210bd
In-place reordering support for Frame.x/y/z
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3 anni fa |
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xyz.ts
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bf4e5ed7c2
normalize mmcif data
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3 anni fa |
David Sehnal
6333c8073f
Add optional CifFile to MmcifFormat.data (#912)