 JonStargaryen
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e3768805a6
rename to transform
|
4 年之前 |
|
JonStargaryen
|
cdb65665a6
transform
|
4 年之前 |
|
JonStargaryen
|
58e0ba016e
rename to atoms/chem_comp and bonds/chem_comp
|
4 年之前 |
|
JonStargaryen
|
6d9a09620c
propagate chem_comp_atom data
|
4 年之前 |
|
JonStargaryen
|
48d0418f0e
mol writing with inline charges and chiral flag
|
4 年之前 |
|
JonStargaryen
|
e39c7c4e98
move encoders to mol-io
|
4 年之前 |
|
JonStargaryen
|
8b4603d5a1
semicolon
|
4 年之前 |
|
JonStargaryen
|
cc6dce8845
numModels param for first model
|
4 年之前 |
|
JonStargaryen
|
a22362bac8
hydrogen flag
|
4 年之前 |
|
JonStargaryen
|
220e01106f
lint
|
4 年之前 |
|
JonStargaryen
|
56f4c8775f
cleanup
|
4 年之前 |
|
JonStargaryen
|
bc6d2112e2
refactoring
|
4 年之前 |
|
JonStargaryen
|
52e011ade9
wip query mode
|
4 年之前 |
|
JonStargaryen
|
895e2ede2d
mol2 stub
|
4 年之前 |
|
JonStargaryen
|
3a25769a94
style
|
4 年之前 |
|
JonStargaryen
|
5db4b48a86
putative check for compatible encoding
|
4 年之前 |
|
JonStargaryen
|
40bbd87c4e
unique group check
|
4 年之前 |
|
JonStargaryen
|
54b5e3a0cc
hydrogen option
|
4 年之前 |
|
JonStargaryen
|
087d5fbb68
stub for sdf writing
|
4 年之前 |
|
JonStargaryen
|
8e350617f2
wip sdf
|
4 年之前 |
|
David Sehnal
|
05c35a3a3a
mol-model: cif export copyAllCategories option
|
5 年之前 |
|
David Sehnal
|
fb0634a0f4
added semicolons to linting rules
|
5 年之前 |
|
David Sehnal
|
e3e7fa3040
model-server: support tar.gz output in local mode
|
5 年之前 |
|
David Sehnal
|
6e60a2f9dc
model-server: query-many result as tar.gz
|
5 年之前 |
|
David Sehnal
|
0a9bdc8cf6
model-server: query-many (wip)
|
5 年之前 |
|
David Sehnal
|
94adf7259d
model and volume server configuration and docs
|
5 年之前 |
|
David Sehnal
|
54bba4c92f
mol-script: added internal.generator.current symbol
|
5 年之前 |
|
David Sehnal
|
eac4a8988b
mol-model: added Model.entryId; mol-plugin: toggle validation tooltip; fixed using correct entryId for various custom properties
|
5 年之前 |
|
David Sehnal
|
f6d11a59a3
model-server: wip config refactoring
|
5 年之前 |
|
David Sehnal
|
76503b52f5
wip model-server
|
5 年之前 |
