libraries.zip
__MACOSX
libraries
._.DS_Store
120 Bytes
._README.txt
484 Bytes
MolDS
src
MolDS
molds_rust
src
._lib.rs
176 Bytes
tests
._cocaine.xyz
276 Bytes
ProbAsn
src
ProbAsn
._assign.py
176 Bytes
._sim.py
333 Bytes
libraries
.DS_Store
10.2 kB
MolDS
LICENSE
18.6 kB
MANIFEST.in
23 Bytes
README.md
185 Bytes
install_env.sh
169 Bytes
pyproject.toml
390 Bytes
requirements.txt
72 Bytes
setup.py
696 Bytes
src
MolDS
__init__.py
194 Bytes
alignment.py
16.1 kB
crystal.py
32.2 kB
math.py
12.4 kB
molds_rust
Cargo.lock
8.4 kB
Cargo.toml
328 Bytes
pyproject.toml
319 Bytes
src
lib.rs
14.5 kB
molds_rust.cpython-310-darwin.so
2.4 MB
molds_rust.cpython-37m-darwin.so
2.3 MB
molds_rust.cpython-39-darwin.so
2.3 MB
nmr.py
12.7 kB
plot.py
20.0 kB
pyproject.toml
314 Bytes
structure.py
23.7 kB
utils.py
7.9 kB
visualize.py
6.0 kB
tests
cocaine.cif
5.7 kB
cocaine.pdb
7.0 kB
cocaine.xyz
1.8 kB
cocaine_twice.pdb
14.0 kB
shifts_H.npy
160 Bytes
shifts_N.txt
15 Bytes
test.pdb
1.3 kB
test.xyz
235 Bytes
test_alignment.py
4.2 kB
test_math.py
12.9 kB
test_nmr.py
2.1 kB
test_structure.py
19.3 kB
test_utils.py
5.8 kB
tmp.py
1.4 kB
ProbAsn
db
place_db_files_here.txt
39 Bytes
src
ProbAsn
__init__.py
139 Bytes
assign.py
38.4 kB
db.py
11.5 kB
draw.py
24.6 kB
graph.py
15.5 kB
gui.py
24.3 kB
sim.py
32.6 kB
utils.py
16.8 kB
README.txt
321 Bytes