Thank you so much for the help!
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corre027 •
extracting atomic coordinates on UNIX
Hi everyone,
I have a PDB file and am tasked with extracting the atomic coordinates. I have gotten to the point where the lines are highlighted in UNIX but not sure exactly how to extract.
Thanks in advance for any help!
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corre027 •
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In each line of the PDB file we check that the first column contains ATOM, and that one of the four backbone atoms is in 3rd column.
awk '{if ($1=="ATOM" && $3=="CA") print $0; if ($1=="ATOM" && $3=="C") print $0; if ($1=="ATOM" && $3=="N") print $0; if ($1=="ATOM" && $3=="O") print $0}' 4ZRY.PDB > 4ZRY_backbone.pdb
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Mensur Dlakic
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