PDB SH - SHift coordinates in a PDB file

PURPOSE

Shift coordinates in a PDB file.

USAGE

.OPERATION: PDB SH

.PDB INPUT FILE: abc.pdb
[Enter the name of the PDB file to be shifted with extension.]

.PDB OUTPUT FILE: def.pdb
[Enter the name of the output PDB file with extension.]

.SHIFT IN ANGSTROMS SXT, SYT, SZT: 100, 200, 300
[Enter X, Y, Z shift (Angstroms)in SPIDER coordinates. If your shift is in units of pixels, multiply it by pixel size.]

NOTES

1. The program changes the shift into PDB format, and then applies the shift operation to PDB coordinates:
   a. Change the coordinate system
   SX= SYT
   SY= SXT
   SZ=-SZT
   b. Apply shift operation to PDB coordinates
   X=XO+SX
   Y=YO+SY
   Z=ZO+SZ
   

2. This operation does not change the format of a PDB file.

3. Implemented by Zhong Huang, Pawel A. Penzcek.

SUBROUTINES

PDB

CALLER

PDB