CIF_POLYMER_MULTIPLICITY(1)

💖 CIF_POLYMER_MULTIPLICITY 💖

okay bestie, listen up — this is the manual page for cif_polymer_multiplicity, and it lives in the General Commands Manual section of your friendly neighbourhood man pages. she's a command-line girlie, she does One Thing, and she does it flawlessly. let's get into it 💅

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✨ NAME ✨

cif_polymer_multiplicity — parses a CIF file and prints out the multiplicity and dimensionality for each and every molecule. periodt.

so the input CIF files? they should represent labeled quotient graphs using data items straight from the topoCIF dictionary, and those items are:

• _topol_net.id
• _topol_atom.atom_label
• _topol_atom.node_id
• _topol_link.node_id_1
• _topol_link.node_id_2
• _topol_link.translation_2_x
• _topol_link.translation_2_y
• _topol_link.translation_2_z

no cap, that's the whole guest list 🎀

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🌸 SYNOPSIS 🌸

cif_polymer_multiplicity [options] input.cif [input2.cif ...]

she takes options, and then one or more CIF files. yes bestie, you can absolutely hand her a whole lil stack of them — input.cif, input2.cif, and so on, she's not gonna complain 🦋

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🦋 DESCRIPTION 🦋

so what does she actually do? she parses a CIF file and prints out the multiplicity and the dimensionality per each molecule. that's the vibe. that's the whole assignment.

and again, just to be so super clear because this part matters: the input CIF files should represent labeled quotient graphs using these data items from the topoCIF dictionary:

• _topol_net.id
• _topol_atom.atom_label
• _topol_atom.node_id
• _topol_link.node_id_1
• _topol_link.node_id_2
• _topol_link.translation_2_x
• _topol_link.translation_2_y
• _topol_link.translation_2_z

like. she is not going to guess. those items are the whole point. iykyk 💜

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👑 OPTIONS 👑

one bullet per flag, no skips, we love a complete list:

• --debug — prints some human-readable debug output. so if you're like "girl what is happening", this is your girl. 🔍
• --use-c-parser — uses the Perl & C parser for CIF parsing. and guess what? this one is the default. she's been doing this the whole time 💅
• --use-perl-parser — uses the Perl parser for CIF parsing instead. sometimes you just want the Perl of it all 🧚
• --help, --usage — outputs a short usage message (yeah, this message, hi) and then exits. iconic exit behaviour, no notes 🎀
• --version — outputs version information and exits. just the receipts, nothing more ✨

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😭 REPORTING BUGS 😭

found a bug? don't be shy bestie, report it. send an e-mail to:

cod-bugs@ibt.lt

that's the whole thing. <3 fr fr, they wanna hear from you.

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ok one tiny disclaimer moment: every flag, every data item, every default is exactly as documented above — i did not invent a single one, because lying about flags is not it. 🫶

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and that's the page!! shoutout to CIF_POLYMER_MULTIPLICITY(1) for existing, and to the General Commands Manual for giving her a home. mwah. go parse something pretty 🌈💖🌸