David Sehnal 6333c8073f Add optional CifFile to MmcifFormat.data (#912) hai 1 ano
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_spec 42409a2bc7 lint: add array-bracket-spacing rule %!s(int64=3) %!d(string=hai) anos
basic 7384bebf4e Fix some cyclic imports & reduce const enum usage (#680) %!s(int64=2) %!d(string=hai) anos
common 0a2a3530d1 fix handling of PDB TER records %!s(int64=2) %!d(string=hai) anos
pdb 2c7d0a6721 comment %!s(int64=2) %!d(string=hai) anos
property f543fd5683 exports hai 1 ano
cif-core.ts 652f6c651b fix wrong element assignment %!s(int64=3) %!d(string=hai) anos
cube.ts bf4e5ed7c2 normalize mmcif data %!s(int64=3) %!d(string=hai) anos
dcd.ts 3dfafc3202 handle cell angles close to zero in dcd reader %!s(int64=3) %!d(string=hai) anos
gro.ts 652f6c651b fix wrong element assignment %!s(int64=3) %!d(string=hai) anos
mmcif.ts 6333c8073f Add optional CifFile to MmcifFormat.data (#912) hai 1 ano
mol.ts 46026e047e set some IndexPairBonds maxDistance to Infinity %!s(int64=2) %!d(string=hai) anos
mol2.ts 46026e047e set some IndexPairBonds maxDistance to Infinity %!s(int64=2) %!d(string=hai) anos
nctraj.ts 55ff1d4999 add nctraj format support %!s(int64=3) %!d(string=hai) anos
pdb.ts bf4e5ed7c2 normalize mmcif data %!s(int64=3) %!d(string=hai) anos
prmtop.ts 511c839237 add prmtop format support %!s(int64=3) %!d(string=hai) anos
psf.ts 652f6c651b fix wrong element assignment %!s(int64=3) %!d(string=hai) anos
sdf.ts e03b689f27 add SdfFormat %!s(int64=3) %!d(string=hai) anos
top.ts b3b4692237 add top format support %!s(int64=3) %!d(string=hai) anos
trr.ts 384cd6e5d9 add trr format support %!s(int64=3) %!d(string=hai) anos
util.ts 14e6172c33 add some elements name for `guessElementSymbolString` function (#883) hai 1 ano
xtc.ts 987c9210bd In-place reordering support for Frame.x/y/z %!s(int64=3) %!d(string=hai) anos
xyz.ts bf4e5ed7c2 normalize mmcif data %!s(int64=3) %!d(string=hai) anos