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SCT

A suite of tools for atomistic modelling of SAS data

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sphere2pdb - Convert a Sphere Model to PDB Format

Convert sphere models created by SCT (text files consisting of four columns (for the X, Y and Z coordinates plus sphere radius) to a PDB format. Each sphere is assigned as a SERine C1 atom.

Useage:

Run using the command:

sphere2pdb.py [-h] -i [INPUT_FILENAME] -o [OUTPUT_FILENAME]

Arguments:

  -h, --help            show this help message and exit
  -i [INPUT_FILENAME], --input_filename [INPUT_FILENAME]
                        Path to the input file
  -o [OUTPUT_FILENAME], --output_filename [OUTPUT_FILENAME]
                        Path to the output file

Notes:

Output:

A PDB file containing SERine C1 atoms located at the coordinates of the spheres passed as input (the temperature factor column is used for the sphere radius).