COMPAR (CCP4: Unsupported Program)
NAME
compar - comparison of coordinates.SYNOPSIS
compar XYZIN1 foo_in1.pdb XYZIN2 foo_in2.pdb [ XYZIN3 foo_in3.pdb ] RMSTAB foo_out.rms[Input cards]
DESCRIPTION
Mini prog to compar 2 or 3 sets of atomic coordinates.INPUT AND OUTPUT FILES
Input
2 or 3 coordinate files in PDB format assigned to XYZIN1, XYZIN2, [ XYZIN3 ].Output
A file assigned to RMSTAB which can be used for SQUID. This file lists, for each residue, the rms difference in coordinates and in B-factor for main chain atoms and for side chain atoms.INPUT
Input is not keyworded. The following 3 lines of input are expected:- <title>
- <Nsets> - number of coordinate files for comparison (2 or 3).
- <Del(xyz)> <DEl(b) > - coordinates are monitored if Del(xyz) or DEl(b) are greater than these values.
Comparison before and after refinement.
2
3.0 20.0