Bsoft program

bmodel

Usage: bmodel [options] in1.star [in2.star...]

Manipulates models.

Actions for preparation:

-addnumberAdd numbers to the model id's.
-mergeMerge models in different files rather than concatenate.
-allReset selection to all models and components before other selections.

Selections:

-select #232@14Select models and components.
-number 24,36Select models based on the number of components.
-closed order,3Select models based on valency (valency,) or polygon order (order,).
-fullereneSelect fullerene type models.
-fom 0.25Select: FOM cutoff.

Actions:

-listmodelsList model information in table form.
-listcomponentsList component counts in table form.
-showmassShow model masses.
-axesCalculate principal axes.
-delete BDelete a component type.
-setfom 0.8Set the FOM of selected components to a specific value.
-centerCenter before all other operations.
-average 4Average sequential components and delete all but one in each set.
-histogram 0.2FOM histogram with the given step size.
-id model1Set model identifier.
-map image.pif,2Map and image number associated with model.
-path ../mapPath to map.
-views localCalculate views for components. Modes: origin: current origin,
com: center-of-mass origin, map: map origin, local: neigbor plane.
-invertInvert views for selected components.
-rdf 1.2Calculate the radial distribution function with the given sampling (angstrom).
-curvatureCalculate the curvature associated with each component.
-settype VERSet all component types.
-associate TRS,trs.pdbAssociate a component type with a file name.
-mass TRS,288.7Associate a component type with a mass.
-translate 12.3,95,-10.5Shift along a vector (x,y,z).
-rotate 0.5,0,5.8,45Rotate around a vector (x,y,z) by an angle.
-scale 1.5,0.8,1Scale around the origin.
-reflect 0.4,-.22,0.5Reflect through a mirror plane defined by the given normal.
-linklength 56.3Generate links with this maximum length.
-setasu D8Set components to within an asymmetric unit.
-apply C5Apply point group symmetry.
-symmetrize C5Symmetrize for a point group symmetry.

Actions for finishing:

-resetReset selection to all components before other selections.

Parameters:

-verbose 7Verbose output.
-componentradius 8.4Set display radius for all components.
-linkradius 5.1Set display radius for all links.
-origin 0,22.5,30Set the origin for rotation and scaling.
-separateEach model is defined as a separate molecule group.
-reference 0,1.5,-0.2,35Reference symmetry axis and rotation angle (default 0,0,1,0).

Input:

-parameters param.starInput parameter file.

Output:

-output file.starOutput model parameter file.
-split 3Split models into individual files:
Argument: 1-6: number of digits inserted before extension
Argument: "id": model ID's are used as file names.
-coordinates all.pdbOutput coordinate files.

Bsoft version 2.0.7-20200917 (64 bit)


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


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