 David Sehnal
|
3ecd305adf
Merge pull request #73 from JonStargaryen/chem-comp
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
60eb42391e
use isNonMetalBond
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
26f5210518
make ctx-aware
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
7b41d800c0
use for of to check non-metals
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
3aa9ef7595
rename chem_comp_bond to chem_comp_dict
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
fad5a40ec4
Merge remote-tracking branch 'upstream/master' into chem-comp
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
58e0ba016e
rename to atoms/chem_comp and bonds/chem_comp
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
b8f168ebf5
iterators
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
560c26c73f
wip mol2
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
73ada6b1f1
rewire mol/sdf
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
4f2cee3b56
introduce map, ditch getLabel
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
ad6975c99d
1.1.5
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
bea462b8b2
Fix servers build error
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
5652fa55db
updated packages
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
d2208a0814
mol-plugin: createPluginAsync, initial Canvas3DProps in PluginSpec
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
62a456ce82
mol-plugin-state: support ArrayBuffer/Uint8Array raw binary data
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
bef1142a31
1.1.4
|
%!s(int64=4) %!d(string=hai) anos |
|
David Sehnal
|
8e07de62dc
fix auth_comp_id property access
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
347b9ead6b
add atomTablePath to default config
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
6d9a09620c
propagate chem_comp_atom data
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
17349b8529
sybyl atom types
|
%!s(int64=4) %!d(string=hai) anos |
|
Alexander Rose
|
3a200fe2d7
add label_seq_id when undefined- serial no, 1-based for each chain, see #72
|
%!s(int64=4) %!d(string=hai) anos |
|
Alexander Rose
|
10bd513680
refactored pdb format label_seq_id handling
|
%!s(int64=4) %!d(string=hai) anos |
|
Alexander Rose
|
9214c54e7d
add CifField.ofUndefined
|
%!s(int64=4) %!d(string=hai) anos |
|
Alexander Rose
|
64da492d63
fix non-standard residue check when filed not given
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
cbb65aaaac
fix missing data in bond table
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
78c9dda257
wip sybyl
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
20450e352f
wip sybyl
|
%!s(int64=4) %!d(string=hai) anos |
|
JonStargaryen
|
9559c22858
mol2 encoder reports bonds again
|
%!s(int64=4) %!d(string=hai) anos |
|
Alexander Rose
|
0d39dc69f1
use label asym-id for coloring coarse models (pdbdev), fixes #69
|
%!s(int64=4) %!d(string=hai) anos |
