PDB IF - PDB - Find information



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


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]

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

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