files from another job e.g., 614e0a1b
The raw output files for each step of the pipeline can be found here and downloaded as a ZIP file here.
Replace XYZ coordinates of the first submitted file with XYZ from another file. This can be useful if you want to replace positions of atoms, for example, one base only. The lines are muted based on atom name, residue name, chain, residue index (marked with XXXX below).
ATOM 11 N1 A 2 27 303.441 273.472 301.457 1.00 0.00 N # file ATOM 1 N1 A 2 27 300.402 273.627 303.188 1.00 99.99 N # insert ATOM 11 N1 A 2 27 300.402 273.627 303.188 1.00 0.00 N # inserted XXXXXXXXXXXXXXXX # part used to find lines to be replaced ATOM 1 P A 2 27 295.653 270.783 300.135 1.00119.29 P # next lineThis is the rna_pdb_replace.py tool.
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