Change Log

All notable changes to this project will be documented in this file. This project adheres to Semantic Versioning.

0.5.2

Fixed some bugs

0.5.1

Updated compute_CapriClass conditions

0.5.0

Added atom name selection for lrmsd calculation
Removed hardcoded chainIDs and added chainID selection in StructureSimilarity

0.4.0

Added many2sql to support read multiple PDB files
Added support for Path objects of input PDB files
Added support for help(pdb2sql)
Updated assignment of chain IDs in StructureSimilarity

0.3.0

Added align to superpose a structure to a specific axis or plane
Added superpose to superpose two structures based on selections
Added fetch to download PDB file with given PDB ID
Updated interface object to take pdb2sql object as input