BPLOT (CCP4: Supported Program)

NAME

bplot - Plot temperature factor by residue

SYNOPSIS

bplot XYZIN1 foo_in1.pdb XYZIN2 foo_in2.pdb plot foo.plt
[Keyworded input]

DESCRIPTION

This program is used to plot the temperature factors for residues in the PDB input file using plot84 subroutine library. Average B-factors for main chain atoms are plotted against residue number as a line graph. Average B-factors for side chain atoms are plotted against residue number as a histogram, unless the CROSSES keyword is specified.

The current version calculates the maximum B-value for the chain and adjust the y-axis scale accordingly.

The output meta-file PLOT can then be viewed with XPLOT84DRIVER, or converted to PostScript, Textronix or HPGL with PLTDEV.

KEYWORDED INPUT

The available keywords are:

BMAX, CBMAIN, CBSIDE, COMPARE, CROSSES, MAIN, PLTY, RES1, RES2 , SIDE, TITLE, XSCALE, YSCALE

TITLE <title>

Title to appear on the plot

PLTY

Plot with the x-axis along the length of the paper (landscape).

By default the picture is drawn with the x-axis along the width of the paper (portrait).

CROSSES

Points for side chains marked with crosses.

By default the points are plotted as a histogram.

COMPARE

Tells the program there are two files to read.

For this option can only plot either main chains or side chains

MAIN

Plot the B values for the main chain only

(this card or SIDE is compulsory if two files input)

SIDE

Plot the B values for the side chains only

(this card or MAIN is compulsory if two files input)

XSCALE <xscale>

Set the scale along the x-axis explicitly

Default = 0.85

YSCALE <yscale>

Set the scale along the y-axis explicitly

Default = 0.85

BMAX <bmax>

The maximum y-axis value on the plot.

If the value you supplied is smaller then the calculated maximum B value for this chain, the supplied <bmax> will not be used.

By default the program scales the plot according to the maximum B value found in the input pdb file.

RES1 <res_beg> <res_end>

followed by the chain labels and numbers of the first and last residues to be plotted from xyzin1

eg. RES1 A1 A224

RES2 <res_beg> <res_end>

followed by the chain labels and numbers of the first and last residues to be plotted from xyzin2

eg. RES2 A1 A224

CBMAIN

Treat CB's as main chain atoms.

CBSIDE

Treat CB's as side chain atoms (default).

INPUT AND OUTPUT FILES

XYZIN1 Input coordinates

XYZIN2 Input second coordinate file (optional)

PLOT Plot meta-file for PLTDEV

AUTHORS

Originator : Miri Hirshberg

EXAMPLES

Unix example script found in $CEXAM/unix/runnable/

bplot.exam