Bsoft program

bmol

Usage: bmol [options] in.pdb out.pdb

Edits, analyzes and transforms atomic coordinate files.

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:

-invert 10,-5.3,2.6Invert through a point.
-translate 0,-50,22Translate (angstrom).
-scale 2,1.5,2.2Scale the coordinates.
-rotate 0.5,0,5.8,45Rotate around a vector (x,y,z) by an angle.
-toview 0.3,0.5,0.8,33Rotate to view: vector {xyz} and angle (default 0,0,1,0).
-fromview 0.3,0.5,0.8,33Rotate from view: vector {xyz} and angle (default 0,0,1,0).
-radius 41.8Force all coordinates to this radius (default not).
-rename DRename molecules from the given letter.
-renumber 52Renumber residues from the given number.
-occupancy 27,99,3Set an occupancy range (res1,res2) to a value.
-box 15,66,54Consolidate structure within box (0,0,0 means no change).
-wrap 15,66,54Pack coordinates within periodic box.
-BfactorAnalyze B-factors.
-SequenceOutput sequence as string of letters.
-MassCalculate the total molecular weight and volume.
-Volume 1Calculate the Van der Waals volume, wrapping flag (default 0).
-CompositionCalculate the composition.
-CenterCalculate the center of mass.
-TranslateTranslate the coordinate set to the center of mass.
-Place -43.2,33,0Place the center-of-mass at the given coordinates.
-AxesCalculate the orthogonal axes.
-Sphericity 1.5Calculate the sphericity with the given angular sampling.
-Radialdensity 0.05,6,1Calculate the radial density function at a given sampling
and distance cutoff (angstrom) with optional wrapping.

Parameters:

-verbose 7Verbosity of output.
-origin 10,-10,20Origin for rotation (default 0,0,0, can be "center" for COM)

Input:

-parameters parm.starAtomic properties parameter file (default atom_prop.star).
-compare mol.pdbReference to calculate RMSD.
-distance mol.pdbReference to calculate distance matrix.

Output:

-matrix file.matDistance matrix.
-image file.mapDistance matrix as an image.

Bsoft version 2.0.7-20200917 (64 bit)


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


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