1.17.1 Changes

• Fix bug on Windows where Xtriage results would fail to display
• Other bug fixes

• Improved handling of SHELX data in phenix.reflection_file_converter
• eLBOW can output files for Amber
• eLBOW supports QM package Orca
• dials.image_viewer is used for viewing diffraction images
• Updated map smoothing
• Fix inconsistency in clashscore values in phenix.validation_cryoem when hydrogens are in the model

1.17 Changes

• Improved handling of SHELX data in phenix.reflection_file_converter
• eLBOW can output files for Amber
• eLBOW supports QM package Orca
• dials.image_viewer is used for viewing diffraction images
• Updated map smoothing
• Fix inconsistency in clashscore values in phenix.validation_cryoem when hydrogens are in the model

1.16 Changes

• New GUI for mmtbx.prepare_pdb_deposition to make mmCIF files for deposition into the PDB
• New tool (CLI and GUI) for getting a validation report from the PDB (phenix.get_pdb_validation_report)
• Added sequence checking to Comprehensive Validation for Cryo-EM
• Amber functionality is available by default

1.16 Changes

• New GUI for mmtbx.prepare_pdb_deposition to make mmCIF files for deposition into the PDB
• New tool (CLI and GUI) for getting a validation report from the PDB (phenix.get_pdb_validation_report)
• Added sequence checking to Comprehensive Validation for Cryo-EM
• Amber functionality is available by default

1.15.2 Changes

• Fix phenix.rosetta_refine issue
• Fix PDB/CIF conversion in GUI

1.15.1 Changes

• Improved phenix.map_to_model behavior

New and improved tools

• New algorithm for phenix.map_to_model is faster and builds longer chains
• phenix.trace_and_build can build protein into maps at resolutions as low as 4.5 A
• phenix.fix_insertions_deletions can build models in places where the map is poor
• phenix.refine_ca_model for optimizing C-alpha only models
• phenix.comparama for generating Kleywegt-like plots that show how residues moved in the Rakmachandran plots before and after refinement
• eLBOW can find unique instances of a ligand from the PDB and optionally create Polder OMIT maps
• Updated structural library for phenix.structure_search
• Updated ligand library for phenix.ligand_identification
• Improved reporting of cis-peptides for residues with altloc atoms

• Updated mmCIF support (stuct_conn loop, ligand restraints, sequence)
• phenix.refine, phenix.real_space_refine, and phenix.pdbtools will also output models in mmCIF format by default
• Dependencies are now based on conda packages, which will be more compatible with new operating systems and will improve consistency across all platforms (macOS, linux, Windows)
• Bug fixes

• Improved phenix.map_to_model behavior

New and improved tools

• New algorithm for phenix.map_to_model is faster and builds longer chains
• phenix.trace_and_build can build protein into maps at resolutions as low as 4.5 A
• phenix.fix_insertions_deletions can build models in places where the map is poor
• phenix.refine_ca_model for optimizing C-alpha only models
• phenix.comparama for generating Kleywegt-like plots that show how residues moved in the Rakmachandran plots before and after refinement
• eLBOW can find unique instances of a ligand from the PDB and optionally create Polder OMIT maps
• Updated structural library for phenix.structure_search
• Updated ligand library for phenix.ligand_identification
• Improved reporting of cis-peptides for residues with altloc atoms

• Updated mmCIF support (stuct_conn loop, ligand restraints, sequence)
• phenix.refine, phenix.real_space_refine, and phenix.pdbtools will also output models in mmCIF format by default
• Dependencies are now based on conda packages, which will be more compatible with new operating systems and will improve consistency across all platforms (macOS, linux, Windows)
• Bug fixes

General Note:

• This release will have a fundamental change in how dependencies are managed. We are moving towards using conda, which will provide better compatibility and consistency across all platforms (linux, macOS, and Windows). Please contact us at bugs@phenix-online.org if you have any issues.

• This installer does not come with the Microsoft Visual C++ 2008 Redistributable Package. This is required if you do not already have it installed. You can get a copy from here. Just run the "vcredist_x64.exe" installer. The next release candidate will contain this file.

Reorganization and addition of cryo-EM tools

• phenix.mtriage - assess map and model quality
• phenix.auto_sharpen - map sharpening
• phenix.map_symmetry - identify symmetry in maps
• phenix.map_box - cut out unique parts of maps
• phenix.combine_focused_maps - combine different maps
• phenix.dock_in_map - automatically place a model into a map
• phenix.map_to_model - automatically build model into a map
• phenix.sequence_from_map - identify sequence from a map
• phenix.real_space_refine - improved refining to models
• phenix.validation_cryoem - separate tool for comprehensive validation of models and maps

• Bug fixes
• Improved data information content functionality

• Better support for metals and metal clusters
• Added support for QM package, Orca

• Better performance
  • NCS search
  • Generating secondary structure restraints
  • Clashscore calculation
• phenix.ligand_identification - option to generate ligand library based on sequence and structural homologs of input