 |
 |
|
|
|
|
dihed.pl [options] [refPDB [cmpPDB]]
|
|
|
|
options: |
[-l min:max[...]]
|
| |
[-list phi|psi|chi1|chi2|chi3|chi4|chi5|omega]
|
| |
[-atoms [chain]res:name [chain]res:name [chain]res:name [chain]res:name
|
|
|
|
This script calculates phi, psi, and chi1 dihedral angles. If two structures
are given as input it calculates the root mean square deviation for all
residues as well as the fraction of angles in the second structure
found within 40 degrees of the corresponding angle in the reference structure.
With the option -list followed by phi, psi,
omega, or chi1 and a single structure as argument a list of dihedral
angles is written to standard output.
The option -l is available to restricts the comparison or list output
to a residue subset.
|
|
|
|
dihed.pl 1vii.exp.pdb 1vii.exp.min.pdb |
|
calculates phi, psi, and chi1 dihedral deviations
|
|
phi: 33.270 ( 85.71 % ), psi: 41.244 ( 77.14 % ), chi1: 36.318 ( 70.97 % )
|
|
dihed.pl -list phi 1vii.exp.pdb |
|
lists phi dihedral angles for all residues in the given protein structure
|
|
MET1: 0.000
LEU2: -64.308
SER3: -63.139
ASP4: -33.485
GLU5: -36.210
ASP6: -47.252
PHE7: -42.580
LYS8: -35.823
ALA9: -79.382
VAL10: -140.773
PHE11: -79.652
GLY12: 154.285
MET13: -90.617
THR14: -125.365
ARG15: -67.217
...
|
|
dihed.pl -l 10:21 1vii.exp.pdb 1vii.exp.min.pdb |
|
compares dihedral angles only for residues 10 through 21
|
|
phi: 30.428 ( 75.00 % ), psi: 37.130 ( 75.00 % ), chi1: 34.822 ( 66.67 % )
|
|
|
|
|
|
|
|
