gmx-rama1
Compute ramachandran plots
Usage
gmx rama [-f [<.xtc/.trr/...>]] [-s [<.tpr>]] [-o [<.xvg>]] [-b <time>]
[-e <time>] [-dt <time>] [-[no]w] [-xvg <enum>]
Overview
gmx rama selects the phi/psi dihedral combinations from your topology file and computes these as a function of time. Using simple Unix tools such as grep you can select out specific residues.
Options
Options to specify input files:
-f [<.xtc/.trr/...>] (traj.xtc)
|
Trajectory: xtc trr cpt gro g96 pdb tng |
|---|---|
-s [<.tpr>] (topol.tpr)
|
Portable xdr run input file |
Options to specify output files:
- -o [<.xvg>] (rama.xvg)
-
xvgr/xmgr file
Other options:
-b <time> (0)
|
Time of first frame to read from trajectory (default unit ps) |
|---|---|
-e <time> (0)
|
Time of last frame to read from trajectory (default unit ps) |
-dt <time> (0)
|
Only use frame when t MOD dt = first time (default unit ps) |
-[no]w (no)
|
View output .xvg, .xpm, .eps and .pdb files |
-xvg <enum> (xmgrace)
|
xvg plot formatting: xmgrace, xmgr, none |
Releases
6 releases since Debian 8 (Jessie); the text changed 5 times.