Bsoft program

bmodedit

Usage: bmodedit [options] in.star

Creates models.
The size of a new model is defined by the -distance option (except -gaussian). If input files are specified, the new model is added or the new components replace old ones.

Actions for creation:

-create mod1New model with the given ID.
-symmetry O-3New model type based on symmetry (T, O and I).
-shell 134.2Generate a spherical shell with the given radius.
-fibonacci 244,50Generate a fibonacci sphere: number of components and radius.
-icosahedron 238.5,3,1Generate an icosahedral shell with the given radius and divisions,
and a flag to make it spherical.
-circle 527,243Generate a circle with the given radius and z offset.
-ellipse 620.5,314.9,5.2Generate an ellipse with the given x and y semi-axes lengths and z offset.
-ellipsoid 24.3,51.2,68Generate an ellipsoid with the given x,y,z semi-axes.
-cylinder 88.3,155Generate a cylinder with the given radius and length.
-spindle 88.3,9.5Generate a spindle with the radius and packing separation.
-randomfill 56Random model with a number of non-overlapping components (use with -componentradius).
-randomshell 87Random model with a number of components on a shell.
-gaussian 44,30.7Random model with a number of gaussian distributed components and standard deviation.
-peaks cc.mapGenerate a model from peaks in a map.

Actions:

-allReset selection to all models and components before other selections.
-replaceReplace existing components with newly created ones (default add).
-reduce submod.starReplace each set of linked components with one new component and write sub-model file.
-id model1Set model identifier.
-settype VERSet all component types.
-changetype VER,KRNChange component type name.
-add -56,3.45,-123Add a component (define model with -id and type with -settype).
-associate TRS,trs.pdbAssociate a component type with a file name.
-linklength 56.3Generate links with this maximum length.
-rdf 1.2Calculate the radial distribution function with the given sampling (angstrom).
-consolidate 85.4Consolidate models: components are considered the same if within the given distance.

Parameters:

-verbose 7Verbosity of output.
-distance 54.7Component distance from origin (default 100 angstrom).
-helix 31.6,43.2,35Helix with given rise, rotation angle and number of components.
-direction 0.2,-0.5,0.3Direction vector (for -cylinder and -spindle).
-componentradius 0.5Component display radius (angstrom).
-linkradius 0.5Link display radius (angstrom).
-color 0.1,0.5,0.2,1Color new models.

Parameters for generating a model:

-points 152Number of points.
-separation 2.5Separation distance between points.

Input:

-parameters param.starInput parameter file.
-map file.mapInput map file to associate with shell model.

Output:

-output newmod.starNew model file.
-catenate catmap.pifNew file name for catenated model maps.

Bsoft version 2.0.7-20200917 (64 bit)


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


Back to the Bsoft home