Becksteinlab / PDB_Ion_Survey

A survey of ion coordination geometries in proteins.

Becksteinlab/PDB_Ion_Survey Issues

data directory with CSVs
Updated 2 years ago
pdbionsurvery.analysis Indentation Error
Closed 4 years ago1
remove temporary directories and files from repo
Closed 4 years ago
Make Python 3 compatible
Closed 4 years ago
Cannot make complete .pdb file for 5EMG
Updated 7 years ago
fix/update notebooks
Updated 7 years ago1
fix notebook so that it does not run out of filedescriptors
Updated 7 years ago
Make things independent of mdsynthesis
Updated 7 years ago2
graph_closest_oxy_distances() broken
Closed 7 years ago
docs in notebook form
Closed 7 years ago2
gee() and cume() do not appear to aggregate over many structures
Closed 8 years ago1
slice ion-ligand interaction by PDB metadata
Closed 8 years ago1
Oxygen Selections
Closed 8 years ago3
Path Customizing
Closed 8 years ago
aggregate g(r) over many structures
Closed 8 years ago1
Distances must be calculated taking periodicity into account
Closed 8 years ago2
Contains Parameters
Closed 8 years ago
restructure as a package
Closed 9 years ago3
Summarize what this module does and how to use it in README
Closed 8 years ago1