PLIP v1.3.2

• Processing of protein-peptide interactions via --peptides
• option to keep modified residues as ligands (--keepmod)
• Improved code for reports
• Smart ordering of ligand in composite compounds
• Fixes handling and visualization of DNA/RNA

PLIP v1.3.1a

Hotfix Release

PLIP v1.3.1

• Support for amino acids as ligands
• Plugin-ready for PyMOL and Chimera
• Refactores code and optimized input
• Improved verbose and debug log system
• Bugfixes for problems affecting some structures with aromatic rings

PLIP v1.3.0a

Bugfix Release

• Fixes problem with segmentation fault in at least one structure (PDB ID 1U6B)
• Typing of aromatic rings has been changed from using OpenBabel to manual (discriminating 5-membered and 6-membered rings)

PLIP v1.3.0

• Batch processing
• Improvements to verbose mode and textual output

PLIP v1.2.3

• Better support for files from MD and docking software
• Fixes issues with large and complex structures
• Speed optimizations

PLIP v1.2.2

• Option to consider alternate atom locations (e.g. for ligands with several conformations)
• Automatic fixing of missing ligand names
• Improved handling of broken PDB files and non-standard filenames
• Improved error handling

PLIP v1.2.1

• Mapping of canonical atom order to PDB atom order for each ligand
• Introduction of debug mode (--debug)
• More robust visualization
• Handling of negative residue numbers for more cases
• Composite members in alphabetical order
• Fixes errors in aromatic ring detection
• Code improvements

PLIP v1.2.0

• Support for DNA and RNA as ligands
• Detection of metal complexes with proteins/ligands, including prediction of geometry
• Extended result files with detailed information on binding site residues and unpaired atoms
• Support for zipped and gzipped files
• Rich verbose mode in command line with information on detected functional groups and interactions
• Automatic fixing of common errors in custom PDB files
• Refined binding site selection
• Better overall performance
• Initial test suite for metal coordination
• Classification of ligands
• Improves detection of aromatic rings and interactions involving aromatic rings
• Single nucleotides and ions not excluded anymore as ligands
• Generation of canonical smiles for complete (composite) ligands
• Generation of txt files is now optional
• Basic support for PDBQT files
• Correct handling of negative chain positions of ligands
• Improved check for valid PDB IDs
• Fixes several bugs

PLIP v1.1.1

• Detailed information on binding site residues in XML files
• Improved extraction of binding site residues
• Information whether halogen bonds are made with side- or main chain of protein