Package schrodinger :: Package application :: Package desmond :: Module systype :: Class McproTyper

Class McproTyper

object --+    
         |    
 TyperBase --+
             |
            McproTyper

Nested Classes

Inherited from TyperBase: __metaclass__

Instance Methods

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __init__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Static Methods

detect(struc, filename)

check_rule(systype, rule)

check_system(struc, filename, rule)

Inherited from TyperBase: prepare

Class Variables

NAME = 'mcpro'

UNKNOWN = 0
hash(x)

RAW_REGULAR = 201

RAW_FEP = 202

STRING = {201: 'a raw geometry for regular monte carlo simulat...

RULE = {'auto': [202, 201], 'fep': [202], 'raw': [202, 201], '...

Inherited from TyperBase: typer_cls

Properties

Inherited from object: __class__

Method Details

Class Variable Details

Value:

{201: 'a raw geometry for regular monte carlo simulations',
 202: 'raw geometries created for FEP calculations'}

Value:

{'auto': [202, 201],
 'fep': [202],
 'raw': [202, 201],
 'raw_fep': [202],
 'raw_regular': [201],
 'regular': [201]}