Package MolKit :: Package pdb2pqr :: Package src :: Module pdb :: Class CRYST1
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Class CRYST1

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CRYST1 class

The CRYST1 record presents the unit cell parameters, space group, and Z value. If the structure was not determined by crystallographic means, CRYST1 simply defines a unit cube.

Instance Methods [hide private]
  __init__(self, line)
Initialize by parsing line COLUMNS TYPE FIELD DEFINITION --------------------------------------- 7-15 float a a (Angstroms).

Method Details [hide private]

__init__(self, line)
(Constructor)

source code 

Initialize by parsing line

COLUMNS  TYPE   FIELD  DEFINITION
---------------------------------------
 7-15    float  a      a (Angstroms).
16-24    float  b      b (Angstroms).
25-33    float  c      c (Angstroms).
34-40    float  alpha  alpha (degrees).
41-47    float  beta   beta (degrees).
48-54    float  gamma  gamma (degrees).
56-66    string sGroup Space group.
67-70    int    z      Z value.