Package nMOLDYN :: Package Analysis :: Module Analysis
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Module Analysis

source code

This modules implements the base class for all the analysis available in nMOLDYN.

Classes [hide private]
  Analysis
Base class for all analysis defined in nMOLDYN.
  QVectors
Generates a set of QVectors within a given shell.
Functions [hide private]
 
setUniverseContents(universe)
Sets the contents of each object found in the universe.
source code
Variables [hide private]
  residusChemFamily = {'acidic':('Asp', 'Glu'), 'aliphatic':('Il...
  nmoldyn_package_path = os.path.dirname(os.path.split(__file__)...
Function Details [hide private]

setUniverseContents(universe)

source code 

Sets the contents of each object found in the universe.

Parameters:
  • universe (a instance of MMTK.Universe.) - the MMTK universe to look in.

Variables Details [hide private]

residusChemFamily

Value:
{'acidic':('Asp', 'Glu'), 'aliphatic':('Ile', 'Leu', 'Val'), 'aromatic\
':('His', 'Phe', 'Trp', 'Tyr'), 'basic':('Arg', 'His', 'Lys'), 'charge\
d':('Arg', 'Asp', 'Glu', 'His', 'Lys'), 'hydrophobic':('Ala', 'Cys', '\
Cyx', 'Gly', 'His', 'Ile', 'Leu', 'Lys', 'Met', 'Phe', 'Thr', 'Trp', '\
Tyr', 'Val'), 'polar':('Arg', 'Asn', 'Asp', 'Cys', 'Gln', 'Glu', 'His'\
, 'Lys', 'Ser', 'Thr', 'Trp', 'Tyr'), 'small':('Ala', 'Asn', 'Asp', 'C\
ys', 'Cyx', 'Gly', 'Pro', 'Ser', 'Thr', 'Val')}

nmoldyn_package_path

Value:
os.path.dirname(os.path.split(__file__) [0])