rmat2pdb
Introduction
rmat2pdb is a program which reads an
rmat file and creates two pdb files.
These pdb files can be used to display a unitcell (direct or reciprocal)
with pymol.
How it works
- The program reads name.rmat
- Creates name-uvw.pdb
- Creates name-hkl.pdb
The lengths of the reciprocal axes are scaled using the average axes lengths:<direct>/<reciprocal>
- The unitcells can be expanded. Specify 3 integers for each of the axes. The
default expansion is 1 1 1.
Invocation
rmat2db [options] rmatfile(s)
options:
- -h short help
- -v more verbose
- -o overwrite existing files
- na nb nc expand unitcell in direction of a, b and c
Input Files
name.rmat
Output files
name-hkl.pdb
name-uvw.pdb
Examples
- rmat2pdb iar.rmat
- rmat2pdb *.rmat
- rmat2pdb 1 2 2 iar.rmat
EVPY Suite Overview