pwd_matrix_2_pdb

Reliability status: development

from a set of coordinates it calculates the PWD matrix, and from it it gets back the coordinates.

usage: pwd_matrix_2_pdb [-h] [--input INPUT] [--pipe]
                        [--barcode_type_dict BARCODE_TYPE_DICT]

Named Arguments

--input

Name of input matrix files in NPY.

--pipe

inputs Trace file list from stdin (pipe)

Default: False

--barcode_type_dict

Json dictionary linking barcodes and atom types (MUST BE 3 characters long!).