v2.4.2

What's Changed

• Fixes Blender crash when import via MDAnlysis with a import filter on topology that has bond information (#174) by @kimjoyc in #177

New Contributors

• @kimjoyc made their first contribution in #177

Full Changelog: v2.4.1...v2.4.2

v2.4.1 for Blender 3.4.1+

Minor fix for custom selections through MDAnlysis that were broken in version 2.4.1.

v2.4.0 for Blender 3.4.1

A new set of nodes to make it easier to create custom numeric selections, as well as improved package installation and logging on failure. Mostly thanks to @YaoYinYing !

What's Changed

• Customized Residue ID selection by @YaoYinYing in #149
• Refactor dependencies setup stuff by @YaoYinYing in #162

Full Changelog: v2.3.1...v2.4.0

v2.3.1 for Blender 3.4.1+

What's Changed

• Fix non-English error when New Data translation is disabled. by @YaoYinYing in #147
• add chain_id_unique on md import by @BradyAJohnston in #156

Full Changelog: v2.2.3...v2.3.1

v2.3.0 for Blender 3.4.1+

Big thanks to @YaoYinYing for fixing a long-standing bug of non-english languages breaking the addon. Additionally the Biological Assembly node works as expected again.

Added

• Panel for adding multiple selection strings, which will become boolean attributes on the imported model when importing via MDAnalysis.

Fixed

• Ball and stick node spheres now support field input for scaling the radius
• Error with initial node setup breaking when in non-english Blender UI (#139) contributed by @YaoYinYing
• Problems with biological assemblies failling on larger structures. (#143)
• Problem with Animate Frames node defaulting to wrong from range on start

v2.2.2 for Blender 3.4.X

Minor fix with usage of np.bool being deprecated in newer versions of Numpy and breaking import.

v2.2.1 for Blender 3.4.X

Added

• multi-model b_factor is added when importing from .pdb files via biotite #133
• 'Invert' field option to atom_properties and other selection nodes to optionally invert the selection
• Added better detection of ligands and modifcations (such as sugars) and a separate selection node for them. Currently ligands are stored on the res_name attribute, starting at 100 and incrementing one for each unique ligand. (should mostly address #79)

Fixed

• include_bonds option was not being utilised on MD import #132
• MOL_animate_res_wiggle was wiggling the OXT (res_name == 38) oxygen when a peptide chain ended. Added additional selection to not wiggle this atom, which should only ever appear when a peptide chain terminates.
• fixed import of vdw_radii for elements not supported by biotite (such as Fe) by moving vdw_radii to the data dictionary rather than relying on a function from biotite which had a limited dictionary for vdw_radii lookup

v2.2.0 for Blender 3.4.X

Reimplemented several nodes from the previous MN, as well as adding styling for nucleic acids. More boolean attributes when importing via MDAnalysis and frame-specific information via occupancy when importing via MDAnalysis.

Added

• atom_name attribute, which is a numerical representation of the atom name (C, CA, C5 etc)
  • Dicussed in #118
  • Allows for more precise selections for new styling and animation nodes
• Reimplemented amino acid 'wiggle' node: using the atom_name attribute
  • 3x faster with the improved atom_name attribute and refactor of the underlying nodes
• Reimplemented the amino acid to curve node
• Ribbon Style Nucleic: A ribbon representation for nucleic acids to complement the ribbon represenation of the proteins from alpha carbons. Enabled now thanks to the atom_name attribute.
• Capturing the Index field in the selection node before the selection occurs, and added an Index field input to the MOL_animate_frames node to enable selection to occur before animating between frames, if the Pre-Sel Index field is used in the Index field of the MOL_animate_frames node
• Added cutoff field for limiting the interpolation of atoms between frames based on a distance cutoff
• Added bonds through MDAnalysis import when a trajectory supports it #129
• Added is_solvent(), is_nucleic() and is_peptide() attributes when importing via MDAnalysis
• Added frame-specific attribute occupancy which is added to each frame of the trajectory when imported via MDAnalysis. #128

Fixed

• Changed naming of MOL_style_atoms to MOL_style_atoms_cycles and MOL_style_ribbon to MOL_style_ribbon_protein

MolecularNodes v2.1.0 for Blender 3.4.X

A number of bug fixes and minor improvements. Only major addition is the ability to specify custom string selections when importing via MDAnalysis.

Added

• Proper support for Fields for ribbon width, enabling 'licorice' representation amoung others
• Tooltips documentation for each of the custom node groups that can be added in Geometry Nodes
• More selection nodes for distance, XYZ slice and whole residues.
• Custom selections using a string when importing via MDAnalysis #123
• Added option to disable interpolation of atom positions between frames
• Added node for animating any field between frames of a trajectory (no fields currently added on import, but used in the new Aniamte Frames backend)
• UVs are now available for the ribbon mesh style, idea from ErikMarklund and implemented by quellenform

Fixed

• Error when defaulting to connect_via_distance() when importing with 'Find Bonds' enabled
• Adding of a color node which was mis-labelled and couldn't be added
• Non-.gro topology files were failling to add vdw_radii attribute #124
• Remove use of np.int which is now deprecated and was causing errors when linking python on M1 Mac
• Attributes now available on ribbon mesh which are sampled from backbone
• Changed starting material to be appended instead of created, which should avoid duplication of material.

Molecular Nodes v2.0.2 for Blender 3.4.X

Fix error on import from #106 where error in reporting success stops import being actually successful.