CharmmCrdFile Class Reference

Reads and parses a CHARMM coordinate file (.crd) into its components, namely the coordinates, CHARMM atom types, resid, resname, etc. More...

List of all members.

Public Member Functions
def	__init__
Public Attributes
	atomno
	resno
	resname
	resid
	attype
	positions
	title
	segid
	weighting
	natom

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Detailed Description

Reads and parses a CHARMM coordinate file (.crd) into its components, namely the coordinates, CHARMM atom types, resid, resname, etc.

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Constructor & Destructor Documentation

def __init__	(		self,
			fname
	)

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Member Data Documentation

atomno

attype

natom

positions

resid

resname

resno

segid

title

weighting

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The documentation for this class was generated from the following file:

• charmmcrdfiles.py