calcNearbyHydrationFraction

<p>string of residue-atom name for nearby atoms</p>

names.res.nearby.atoms

<p>Calculate the mobility values of waters for a structure.</p>

Identify and analyze conserved waters within crystallographic
protein structures and molecular dynamics simulation trajectories. Statistical
parameters for each water cluster, informative graphs, and a PyMOL session
file to visually explore the conserved waters and protein are returned.
Hydrophilicity is the propensity of waters to congregate near specific protein
atoms and is related to conserved waters. An informatics derived set of
hydrophilicity values are provided based on a large, high-quality X-ray
protein structure dataset.

Emilio Xavier Esposito

calcNearbyHydrationFraction: Calculate Nearby Atom Hydration Fraction

Description

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