 JonStargaryen
|
6d9a09620c
propagate chem_comp_atom data
|
4 years ago |
|
JonStargaryen
|
17349b8529
sybyl atom types
|
4 years ago |
|
Alexander Rose
|
3a200fe2d7
add label_seq_id when undefined- serial no, 1-based for each chain, see #72
|
4 years ago |
|
Alexander Rose
|
10bd513680
refactored pdb format label_seq_id handling
|
4 years ago |
|
Alexander Rose
|
9214c54e7d
add CifField.ofUndefined
|
4 years ago |
|
Alexander Rose
|
64da492d63
fix non-standard residue check when filed not given
|
4 years ago |
|
JonStargaryen
|
cbb65aaaac
fix missing data in bond table
|
4 years ago |
|
JonStargaryen
|
78c9dda257
wip sybyl
|
4 years ago |
|
JonStargaryen
|
20450e352f
wip sybyl
|
4 years ago |
|
JonStargaryen
|
9559c22858
mol2 encoder reports bonds again
|
4 years ago |
|
Alexander Rose
|
0d39dc69f1
use label asym-id for coloring coarse models (pdbdev), fixes #69
|
4 years ago |
|
Alexander Rose
|
1a29159dfd
crystal-contacts preset, color theme tweaks
|
4 years ago |
|
Alexander Rose
|
8c21d3b9d9
Merge branch 'master' of https://github.com/molstar/molstar
|
4 years ago |
|
Alexander Rose
|
24143d7078
build docking-viewer as app
|
4 years ago |
|
Alexander Rose
|
22ead527f2
expose chain-id color params to element-symbol and illustrative
|
4 years ago |
|
Alexander Rose
|
104666a13e
reset focus repr color params
|
4 years ago |
|
David Sehnal
|
f9ea48fd7b
mol-model: atom_site.B_iso_or_equiv added to mmCIF exporter
|
4 years ago |
|
JonStargaryen
|
80598dc102
typo
|
4 years ago |
|
JonStargaryen
|
fbaaa57ca2
sybyl criteria
|
4 years ago |
|
JonStargaryen
|
b0113d6189
mol2: charges, fix to actually use label_atom_id
|
4 years ago |
|
JonStargaryen
|
da1fa03a5f
fix mol2 substructure line
|
4 years ago |
|
JonStargaryen
|
48d0418f0e
mol writing with inline charges and chiral flag
|
4 years ago |
|
JonStargaryen
|
cf0122ce23
add component atom
|
4 years ago |
|
JonStargaryen
|
7216a25877
creation of charge and stereo config data
|
4 years ago |
|
David Sehnal
|
89eae0807e
docs fix
|
4 years ago |
|
Alexander Rose
|
bfc52fbc6b
1.1.3
|
4 years ago |
|
Alexander Rose
|
94cd5d3395
support for recommended iso value volumes
|
4 years ago |
|
David Sehnal
|
30d34584bf
model-server: added optional assemblyName param to /residueInteraction
|
4 years ago |
|
David Sehnal
|
c81166d04b
1.1.2
|
4 years ago |
|
David Sehnal
|
3384a8630b
Merge pull request #71 from JonStargaryen/sdf
|
4 years ago |
