PDB_DELHETATM(1)

💖 PDB_DELHETATM 💖

okay so bestie, you found the manual page for pdb_delhetatm version 2.5.1 and honestly? it's a little chaotic but we love it here 🎀

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✨ NAME ✨

pdb_delhetatm — that's literally it, that's the name, manual page for pdb_delhetatm 2.5.1 💅

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🌸 DESCRIPTION 🌸

okay first thing, and I'm not even joking, if you run this thing the wrong way it will just hit you with:

pdb_delhetatm File not found or not readable: '--help'

like. not even a help flag. rude, but iconic 😭 that's just how it is, no cap.

So what does it actually do? It removes all HETATM records in the PDB file. that's the whole job. clean girl energy, in and out, bye bye heteroatoms 🦋

🧚 Usage 🧚

python pdb_delhetatm.py <pdb file>

🍓 Example 🍓

python pdb_delhetatm.py 1CTF.pdb

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now for the lore, because it's giving backstory 👑

This program is part of the pdb-tools suite of utilities and should not be distributed isolatedly. read that again bestie, not isolatedly 🙈 she needs her friends.

The pdb-tools were created to quickly manipulate PDB files using the terminal, and they can be used sequentially, with one tool streaming data to another ✨ like a little pipeline slay train, one handing off to the next, no cap.

And then the part that makes me emotional fr fr: they are based on old FORTRAN77 code that was taking too much effort to maintain and compile. RIP 🪦💀 gone but never forgotten, we pour one out 🫶

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lowkey reminder: this whole thing is pdb_delhetatm 2.5.1, from September 2024, and yes the page title is PDB_DELHETATM(1) 💖 mwah, go delete some HETATMs bestie, you got this 🎀✨👑