Calculation of clusters of hydrated amino-acid conformers

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F14%3A00451604" target="_blank" >RIV/86652036:_____/14:00451604 - isvavai.cz</a>

Result on the web

<a href="http://www.dnatco.org/atlas/cluster/" target="_blank" >http://www.dnatco.org/atlas/cluster/</a>

DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Calculation of clusters of hydrated amino-acid conformers

Original language description

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.n n

Czech name

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Czech description

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Type

R - Software

CEP classification

BO - Biophysics

OECD FORD branch

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Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2014

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Internal product ID

cluster.sh

Technical parameters

BASH script, licence GPL 3

Economical parameters

typový projekt

Owner IČO

86652036

Owner name

Biotechnologický ústav AV ČR, v. v. i.