PDB IF - PDB - Find information

PURPOSE

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

USAGE

.OPERATION: PDB IF [a],[b],[c],C

INPUT FILE: aaa.pdb

[Enter the name of the PDB file. Registers variables [a],[b],[c] will receive crystal

unit cell constants a, b, and c in Angstroms. Register variables [a],[b],[c]

receive total numbers of atoms, terminal atoms and HET atoms.]

.OUTPUT FILE: PDBPRM
[Enter the name of the SPIDER document file.
The columns in the document file are:

Crystal unit cell constants a, b and c.
Crystal unit cell angles alpha, beta, gamma.
ORIGX1
ORIGX2
ORIGX3
SCALE1
SCALE2
SCALE3
Total number of atoms, terminal atoms, and HET atoms.

NOTES

2. 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 are printed out.

3. Implemented by Zhong Huang, Pawel Penczek.

SUBROUTINES

PDB

CALLER

PDB