PDB IF - PDB - Find information

PURPOSE

To find information about PDB file, and save it in document file, or place in register variables.   Example.

SEE ALSO

PDBCG3	[PDB - Calculate center of gravity]
PDBPTS	[PDB - Put coordinates in SPIDER document file.]
PDBRT3	[PDB - Rotate by Euler angles in 3D space]
PDBRT3A	[PDB - Rotate by Euler angles around arbitrary center]
PDBRT3L	[PDB - Rotate PDB file around line]
PDBSH	[PDB - SHift coordinates]
PDBSTP	[PDB - Create PDB file from coordinate list]

USEE ALSO: PDB CG3

USAGE:  PDB IF [a],[b],[c],[na],[ta],[nhet]
        [This operation can return up to six optional register variable:     
        
                                      
           
 Variable
 
 
                                                   Example 
 
 
                                                   Receives 
 
                           
           
 First
 
                 
[a]              
 
                 
Crystal unit cell constant: a 
 
                             
           
 Second         
 
                 
[a]                           
 
                 
Crystal unit cell constant: b 
 
                             
            
 Third         
 
                 
[a]                           
 
                 
Crystal unit cell constant: c 
 
                             
 
           
 Fourth         
 
                 
[na]                          
 
                 
Total numbers of atoms        
 
 
                            
            
 Fifth         
 
                 
[ta]                          
 
                 
Terminal number of atoms      
 
                             
            
 Sixth         
 
                 
[nhet]                        
 
                 
Numbers of HET atoms          
 
                             
         
 
        
        .INPUT FILE:  aaa.pdb
         [Enter the name of the PDB file. 

	.PARAMETER DOC FILE: PDBPRM
         [Enter the name for the SPIDER document file.    


         The lines in the document file contain:          

            Crystal unit cell constants: a, b and c.      

            Crystal unit cell angles: alpha, beta, gamma. 

            Origins: origx1, origx2, origx3.                       

            Scales:  scale1, scale2, scale3.                       

            Number of atoms: total, terminal, and HET.


NOTES:   1. Prints out publication information of this PDB file, the space 
            group, information about data set and refinement  
            such as, highest and lowest resolution, R factor and  
            free R factor. 
  
         2. Implemented by Zhong Huang, Pawel Penczek. 

SUBROUTINES: PDB

CALLER: DRIV1