PDB_SELATOM(1)

✨ PDB_SELATOM(1) ✨

ok so bestie, this is a section 1 manual page for the user command pdb_selatom 💅 it lives in the User Commands corner of the manual, and iykyk, it's a whole vibe.

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🎀 NAME 🎀

pdb_selatom — literally the manual page for pdb_selatom 2.5.1 🫶

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💖 DESCRIPTION 💖

pdb_selatom Atom name is invalid: '-HELP'

(no bc why did you type that 😭 anyway—)

It selects all the atoms matching the given name in the PDB file. that's the whole job. iconic.

Atom names are matched without taking into consideration spaces, so ' CA ' (alpha carbon) and 'CA ' (calcium) will both be kept if -CA is passed. fr fr, spaces do not matter here, only the letters 👑

🌸 Usage 🌸

python pdb_selatom.py -<option> <pdb file>

🦋 Example 🦋

python pdb_selatom.py -CA 1CTF.pdb
       # keeps only alpha-carbon atoms

python pdb_selatom.py -CA,C,N,O 1CTF.pdb
       # keeps only backbone atoms

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This program is part of the pdb-tools suite of utilities and should not be distributed isolatedly 🚫 — like, do not separate her from her sisters, that's not the move. The pdb-tools were created to quickly manipulate PDB files using the terminal, and can be used sequentially, with one tool streaming data to another 🌈 (pipes? we love pipes. main character energy honestly). They are based on old FORTRAN77 code that was taking too much effort to maintain and compile. RIP. 💀🕯️

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that's it, that's the page ✨ this was pdb_selatom version 2.5.1, dated September 2024 — mwah, slay, go select some atoms bestie 💅💖🦋