Bsoft program

bmoledit

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

Manipulates atomic coordinate files.

Actions:

-select CAAtom selection (default all).
-elementsUse elements as identifiers for atom types.
-slices 23.7Split coordinates into slices of this thickness, output multiple numbered files.
-noHRemove all hydrogens.
-nobondsRemove all bond specifications.
-bonds 2.1Add bonds between atoms closer than the given distance.
-pseudobonds 3Add pseudo-atoms on bonds given the number per bond.
-random 1.2Add a random displacement to each coordinate within a maximum (angstrom).
-pruneRemove overlapping molecules.
-untangle 3.5,0.2Eliminate overlaps by moving molecules apart (sampling and damping factor).

Parameters:

-verbose 7Verbosity of output.
-distance 3.5Distance between overlapping atoms allowed (default 3 angstrom, use with -insert).

Input:

-parameters parm.starAtomic properties parameter file (default atom_prop.star).
-insert in.pdbInsert this into the input file, deleting overlapping atoms in the input file.
(use with -distance to indicate cutoff to eliminate atoms).

Bsoft version 1.5.7-20090605 (64 bit)


Generated by bdoc.pl on Mon Jun 15 11:47:11 2009


Back to the Bsoft home