presets

Display preset custom viewers for routine visualizations.

Example Jupyter notebook commands:

import pyrosetta.distributed.viewer as viewer viewer.presets.ligandsAndMetals(poses, window_size=(800, 600), continuous_update=True) ——————————————————————————–

For Developers: contribute your own preset Viewer

  1. Edit ~Rosetta/main/source/src/python/PyRosetta/src/pyrosetta/distributed/viewer/presets/__init__.py

  2. Copy and modify the templatePreset function, renaming it to the name of your new preset Viewer (e.g. myCustomPreset in step #5).

  3. Add the name of your new preset Viewer to the __all__ list.

  4. Merge pull request into RosettaCommons/main

  5. Example using it: import pyrosetta.distributed.viewer as viewer viewer.presets.myCustomPreset(poses, window_size=(800, 600), continuous_update=True)

pyrosetta.distributed.viewer.presets.coreBoundarySurface(packed_and_poses_and_pdbs=None, *args, **kwargs)

Display core residues as ‘blackCarbon’ sticks, boundary residues as ‘greyCarbon’ sticks, and surface residues as ‘whiteCarbon’ sticks, with ‘spectrum’ cartoon representation, using the default arguments in pyrosetta.rosetta.core.select.residue_selector.LayerSelector() to select layers.

@klimaj

pyrosetta.distributed.viewer.presets.ligandsAndMetals(packed_and_poses_and_pdbs=None, *args, **kwargs)

Display residues with ResidueProperty.LIGAND as ‘brownCarbon’ sticks with opaque surface, and ResidueProperty.METAL as ‘chainHetatm’ spheres, with ‘spectrum’ cartoon representation, disulfide bonds, polar hydrogens, and dashed hydrogen bonds.

@klimaj