PDB_CHAINBOWS(1)

🎀 PDB_CHAINBOWS(1) 🎀

okay bestie, welcome to the manual page for pdb_chainbows 💖 it's a pdb-tools joint, version 2.5.1, and it's genuinely so useful, come sit with me.

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✨ NAME ✨

pdb_chainbows — the manual page for pdb_chainbows 2.5.1 🌈

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💅 DESCRIPTION 💅

okay so first thing, and I'm not being dramatic, this is literally what it says:

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

yeah. that's the whole first line. it's giving mysterious, it's giving iconic in a cursed way, we move on 🫶

so what does it actually do? it renames chain identifiers sequentially, based on TER records. that's the whole vibe. one chain, next chain, next chain, in order, no cap 👑

now here's the part where you gotta listen, bestie, because it's a little spicy 🌶️. Since HETATM records are not separated by TER records, and usually come together at the end of the PDB file, this script will attempt to reassign their chain identifiers based on the changes it made to ATOM lines. It might lead to bad output in certain corner cases. ngl that's a real caveat, not me being cute — corner cases are out here and they can absolutely ruin your day 💀

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🦋 Usage 🦋

python pdb_chainbows.py <pdb file>

🍓 Example 🍓

python pdb_chainbows.py 1CTF.pdb

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and like, a lil context because you deserve it, main character: this program is part of the pdb-tools suite of utilities and should not be distributed isolatedly. she's a package deal, fr fr 💐

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. yes, that's a pipeline. yes, it slays. the way that one tool just hands off to the next... obsessed ✨

and the origin story?? they are based on old FORTRAN77 code that was taking too much effort to maintain and compile. RIP 🙏 absolute legends, gone but not forgotten.

lowkey if you're passing this tool something weird and it acts up, remember the HETATM thing. that's your vibe check right there.

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sign-off time, bestie 🧚 this was pdb_chainbows 2.5.1, September 2024, and it lives in the PDB_CHAINBOWS(1) manual. go chain your bows, you got this 💜🌸