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