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Structural Pattern Identification and Validation

PatternQuery

Identification of molecular (sub)structures in the entire Protein Data Bank

MotiveValidator

Validation of annotation of ligands and non-standard residues in the protein structures

Validator^DB

Validation of annotation of ligands and non-standard residues for the entire Protein Data Bank

SecStrAnnotator

Annotation of the secondary structure elements in the protein structures

EEM Charges Computation

AtomicChargeCalculator

Calculation of EEM charges for the small molecules as well as entire protein complexes

NEEMP

Toolkit for parametrization, calculaton and validation of EEM charges

Molecular Visualization

LiteMol

Comprehensive visualization of (extremely large) protein structures

Bioinformatics tools

CrocoBLAST

Optimized parallel implementation of local sequence alignment algorithms

Current version: 1.16.11.04 (see the Release notes)