The pdb2sql Python Package - Update to 0.5.3

Fix residue matching when computing RMDSs

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud almost 3 years ago

The pdb2sql Python Package - 0.5.2

• Fix some bugs

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng over 3 years ago

The pdb2sql Python Package - 0.5.1

• Updated compute_CapriClass conditions

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng almost 5 years ago

The pdb2sql Python Package - 0.5.0

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

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng over 5 years ago

The pdb2sql Python Package - 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

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng over 5 years ago

The pdb2sql Python Package - 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

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng almost 6 years ago

The pdb2sql Python Package - 0.2.5

1. add CITATION.cff
2. add .zenodo.json

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng about 6 years ago

The pdb2sql Python Package - pdb2sql

Main updates: 1. Add unit tests 2. Add documentation

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng about 6 years ago

The pdb2sql Python Package - pdb2sql

Update transform and add corresponding tests.

Scientific Software - Peer-reviewed - Python
Published by CunliangGeng over 6 years ago

The pdb2sql Python Package - pdb2sql

Update : .* no extra was removed .* init was updated .* read not only pdb but list and numpy arrays

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud over 6 years ago

The pdb2sql Python Package - pdb2sql

easily parse and manipulate PDB files using SQL queries

Scientific Software - Peer-reviewed - Python
Published by NicoRenaud over 6 years ago