Search results

PyMol output

Status: Open.

#33 In mwinokan/PoseButcher;

· mwinokan opened on Jul 15, 2024

Derive pocket definitions from native substrate and/or pre-tagged fragment hits

Status: Open.

#31 In mwinokan/PoseButcher;

· mwinokan opened on Apr 19, 2024

Add some example pose butchers to the asap canonical views notion page

Status: Open.

#30 In mwinokan/PoseButcher;

· mwinokan opened on Apr 16, 2024

Provide expansion vector limits to Syndirella

Status: Open.

#29 In mwinokan/PoseButcher;

· mwinokan opened on Apr 11, 2024

Define pocket from ligand's nearby residues

Status: Open.

#27 In mwinokan/PoseButcher;

· mwinokan opened on Mar 21, 2024

PocketPicker

Status: Open.

#25 In mwinokan/PoseButcher;

· mwinokan opened on Mar 5, 2024

Validation

Status: Open.

#24 In mwinokan/PoseButcher;

· mwinokan opened on Feb 13, 2024

tqdm / MPyTools progress bar for initialisation

Status: Open.

#23 In mwinokan/PoseButcher;

· mwinokan opened on Feb 5, 2024

Use tempfile package to handle pygamer files

Status: Open.

#22 In mwinokan/PoseButcher;

· mwinokan opened on Feb 5, 2024

Change file I/O (butcher.write and butcher.from_directory) to use pydantic

Status: Open.

#20 In mwinokan/PoseButcher;

· mwinokan opened on Jan 26, 2024

Create named tuple for chop output

Status: Open.

#19 In mwinokan/PoseButcher;

· mwinokan opened on Jan 26, 2024

Low-hanging fruit: use cases in XChem / ASAP

Status: Open.

#15 In mwinokan/PoseButcher;

· mwinokan opened on Jan 25, 2024