Number of the records: 1
Calculation of hydration sites of amino-acid conformers
- 1.0451955 - BTÚ 2016 RIV CZ eng L4 - Software
Biedermannová, Lada
Calculation of hydration sites of amino-acid conformers.
Internal code: refine.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 * hydration sites * density representation method
Subject RIV: BO - Biophysics
http://www.dnatco.org/atlas/refine/
Program converts clusters of hydrated amino-acid conformers into electron density, calculates crystallographic structure factors, finds hydration site positions as peaks in the electron density and performs "refinement" of the positions, calculating pseudo-ocuppancies and pseudo-B-factors of the hydration sites.
Permanent Link: http://hdl.handle.net/11104/0253011
Number of the records: 1