COOT(1)

✨ NAME ✨

coot-make-shelx-restraints β€” bestie, that's the whole name, that's the whole program πŸ’–


πŸ¦‹ SYNOPSIS πŸ¦‹

coot-make-shelx-restraints <mmCIF-restraints-file>

okay so you run it, you hand it one thing, and that thing is your mmCIF restraints file. no flags, no drama, no extra args. just vibes and one filename πŸŽ€


πŸ’… DESCRIPTION πŸ’…

Convert mmCIF-style restraints to SHELXL-style restraints. That's it, that's the mission statement. mmCIF in, SHELXL out, glow-up complete ✨

And here's the cute part: for every single comp-id in your input mmCIF restraints file, it makes you an output file. Every one. Not one big blob β€” a whole little friend group of files, one per comp-id 🫢

🌸 so like... don't be surprised when you get a bunch of files back. that's not a bug, that's literally the design, iykyk

πŸ‘‘ AUTHOR πŸ‘‘

Paul Emsley</purl> β€” the icon, the legend, the main character who wrote this πŸ’œ


and that's the whole page, bestie! this one lives in the General Commands Manual and its title is COOT(1) β€” the footer just repeats COOT(1) with no version and no date attached, so don't go looking for a timestamp, there isn't one πŸ™ˆ slay, go convert those restraints πŸ’…πŸŒˆβ­

πŸ“¦ where this page comes from