/usr/share/autodock/Tests/1pgp_rigid.maps.fld is in autodock-test 4.2.6-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | # AVS field file
#
# AutoDock Atomic Affinity and Electrostatic Grids
#
# Created by ../../autogrid/i86Linux2/autogrid4.
#
#SPACING 0.375
#NELEMENTS 40 40 40
#CENTER 23.429 29.822 39.602
#MACROMOLECULE 1pgp_rigid.pdbqt
#GRID_PARAMETER_FILE 1pgp_rigid.gpf
#
ndim=3 # number of dimensions in the field
dim1=41 # number of x-elements
dim2=41 # number of y-elements
dim3=41 # number of z-elements
nspace=3 # number of physical coordinates per point
veclen=7 # number of affinity values at each point
data=float # data type (byte, integer, float, double)
field=uniform # field type (uniform, rectilinear, irregular)
coord 1 file=1pgp_rigid.maps.xyz filetype=ascii offset=0
coord 2 file=1pgp_rigid.maps.xyz filetype=ascii offset=2
coord 3 file=1pgp_rigid.maps.xyz filetype=ascii offset=4
label=P-affinity # component label for variable 1
label=C-affinity # component label for variable 2
label=OA-affinity # component label for variable 3
label=HD-affinity # component label for variable 4
label=N-affinity # component label for variable 5
label=Electrostatics # component label for variable 5
label=Desolvation # component label for variable 6
#
# location of affinity grid files and how to read them
#
variable 1 file=1pgp_rigid.P.map filetype=ascii skip=6
variable 2 file=1pgp_rigid.C.map filetype=ascii skip=6
variable 3 file=1pgp_rigid.OA.map filetype=ascii skip=6
variable 4 file=1pgp_rigid.HD.map filetype=ascii skip=6
variable 5 file=1pgp_rigid.N.map filetype=ascii skip=6
variable 6 file=1pgp_rigid.e.map filetype=ascii skip=6
variable 7 file=1pgp_rigid.d.map filetype=ascii skip=6
|