Question: System level programming Learning to use awk, grep and sed There is a protein database file (4HKD pdb) in Dr. Harrison's main directory. These files
Learning to use awk, grep and sed There is a protein database file (4HKD pdb) in Dr. Harrison's main directory. These files consist of many individual records (lines) each of which starts with a keyword that identifies it The files are somewhat complicated. Your task is to use Unix tools to simplify looking at these files. It is a good idea to write script files out as demonstrated in class, rather than trying to compose them on the command line. you can turn the scripts in as part of the answer You should copy the file to your own area and write programs to solve the following problems 1. Records other than ","CONNECT", "HETATM". "TER" and "END" are consid- grep to generate ered header records which describe the metadata about the molecule. Use the header. Please give the grep command(s) and the header you found 2. The records that have HETATM" and "MSE should be ATOM (the two spaces after TOM are important) and "MET" respectively. (This reflects an experimental technique used to solve the structure but results in a syntactical inconsistency that can caus problems). Please use sed and/or awk to fix this by replacing HETATM with ATOM and MSE with MET. Please give the commands you used and show the corrected lines 3. Use awk to find the maximum and minimum xy,z values for the ATOM ATOM ATOM 93 OG SER A 12 94 N MET A 13 20.901 10.643 45.146 1.00 34.66 22.086 11.751 41.731 1.00 22.99 The 7th through 9th fields are the x.yz positions. find the mean values for x yz for the HETATM records (same fields as ATOM records) 5. The standard name for a water molecule is HOH. Unfortunately it needs to be called WAT to be used by some (slightly braindead) computational chemistry program Make the changes automatically with sed. What command did you use? 6. produce a list of atoms sorted by their b-factor (lth position in an ATOM record). How did you do it
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