brksph2pdb - Convert a Sphere Model to PDB Format

Convert sphere models created by brktos (text files consisting of four columns (column width of 10 characters, 2 decimal places 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:

brksph2pdb

You will then me prompted to provide paths to the input (sphere model) and output (PDB) files.

Notes:

The name of this utility come from a historical habit to name sphere model files *.brk. This is however confusing as .brk is an archaic file ending for PDB files. I can only apologize for the current name created as a disambiguation of the old name brk2pdb when it was annoying me more than it does now.

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).

ATOM      1  C1  SER  1474     110.000  20.000  35.000  2.50