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 line
This is the rna_pdb_replace.py tool.

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