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_spec
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fb0634a0f4
added semicolons to linting rules
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5 jaren geleden |
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basic
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272e208fd4
add ion & lipid as chem_comp type, charmm ion names
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5 jaren geleden |
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common
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94cd5d3395
support for recommended iso value volumes
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4 jaren geleden |
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pdb
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1b67bc41f5
explicit pdbqt provider
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5 jaren geleden |
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property
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cbb65aaaac
fix missing data in bond table
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4 jaren geleden |
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3dg.ts
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5007f5fb72
added VolumeData.sourceData: ModelFormat
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5 jaren geleden |
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cif-core.ts
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8137d4acdb
fix spelling of isNonStandardCrystalFrame
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5 jaren geleden |
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cube.ts
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5007f5fb72
added VolumeData.sourceData: ModelFormat
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5 jaren geleden |
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dcd.ts
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fb0634a0f4
added semicolons to linting rules
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5 jaren geleden |
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gro.ts
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ddafa7aac1
added todo for gro parser regarding reusing static model parts
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5 jaren geleden |
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mmcif.ts
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2142290300
add prd_id as entity property, treat prd as ligand
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5 jaren geleden |
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mol.ts
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5007f5fb72
added VolumeData.sourceData: ModelFormat
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5 jaren geleden |
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mol2.ts
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e49af151c1
use mol2 mol_name for entity name when available
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4 jaren geleden |
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pdb.ts
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5b698b816e
basic partial charge and pdbt support
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5 jaren geleden |
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psf.ts
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aca49b9ba5
PSF parser fix, correct topology/coordinates ordering (wip)
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5 jaren geleden |
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util.ts
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a5c039bf11
fix Si-Si bonds
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5 jaren geleden |
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xtc.ts
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11d5e301f3
xtc format support
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5 jaren geleden |
JonStargaryen
cbb65aaaac
fix missing data in bond table