Bsoft program

bgex

Usage: bgex [options] out.pdb out.map

Calculates and compares atomic models and maps.
A coordinate file is required. If a map file is given, the occupancy of the atoms are calculated.

Selections:

-select CAAtom selection (default all).
-chains B,G,O,ZSelect chains or molecules by ID (default all).
-limits-50.5,10,0,40,-100,-20 Coordinate limits (default -10000,-10000,-10000,10000,10000,10000).

Actions:

-potentialCalculate an atomic potential map (default simple gaussian expansion).

Parameters:

-verbose 7Verbosity of output.
-datatype uForce writing of a new image data type.
-origin 0,0,0Origin placement within image (default 0,0,0).
-size 10,10,10Map size, input map size otherwise (voxels).
-sampling 1Sampling (default 1 angstrom/voxel).
-resolution 3Resolution (default 2 angstrom, only simple gaussian expansion).
-wrapWrap around periodic boundaries (default off).
-Bfactor 30Global B-factor (default 0 angstrom squared).
-symmetry 1Space group (default 1).
-unitcell50,50,50,90,90,90 Unit cell parameters (angstrom & degrees).

Input:

-coordinates file.pdbInput coordinate file.
-map file.mapInput map file.
-parameters parm.starAtomic properties parameter file (default atom_prop.star).

Bsoft version 2.0.7-20200917 (64 bit)


Generated by bdoc.pl on Mon Oct 26 08:20:11 2020


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