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From WebChemistry Wiki
Revision as of 10:00, 11 June 2016 by
Lukas
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PatternQuery
Identification of structural (sub)structures in the entire Protein Data Bank
LiteMol
Comprehensive visualization of (extremely large) protein structures
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
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
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