Number of the records: 1
Calculation of clusters of hydrated amino-acid conformers
- 1.0451604 - BTÚ 2016 RIV CZ eng L4 - Software
Biedermannová, Lada
Calculation of clusters of hydrated amino-acid conformers.
Internal code: cluster.sh ; 2014
Technical parameters: BASH script, licence GPL 3
Economic parameters: typový projekt
R&D Projects: GA ČR(CZ) GPP205/12/P729; GA MŠMT(CZ) ED1.1.00/02.0109
Institutional research plan: CEZ:AV0Z50520701
Institutional support: RVO:86652036
Keywords : protein hydration * structural biology * X-ray crystallography, data mining * conformational clustering
Subject RIV: BO - Biophysics
http://www.dnatco.org/atlas/cluster/
Program downoads specified set of structures from the Protein Data Bank (PDB), performs structure quality check, adds neighboring crystallographic cells, extracts water molecules in the vicinity of the selected protein chain, analyzes protein-water contacts, water-amino-acid-residue distance distributions and residue SASA distributions, and classifies and clusters residue conformations based on secondary structure and rotameric state.
Permanent Link: http://hdl.handle.net/11104/0252788
Number of the records: 1