CSG_SPHERICALORDER(1)

💖 csg_sphericalorder(1) — the VOTCA spherical-order girlie 💖

okay so hi bestie, welcome to csg_sphericalorder(1), which is literally a whole member of the VOTCA package. she's a little experimental, she's a little niche, and she's gonna tell you everything about spherical order parameters. let's get into it 🫶

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🌸 NAME 🌸

csg_sphericalorder — she's part of the VOTCA package. that's it, that's the name section, short and iconic 💅

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✨ SYNOPSIS ✨

csg_sphericalorder [OPTIONS]

csg_sphericalorder [--help]

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🦋 DESCRIPTION 🦋

!! EXPERIMENTAL !! — yes bestie, the original screams it in all caps with double bangs and so do I. she is EXPERIMENTAL. treat her accordingly, no cap. 😭

Calculate spherical order parameter. that's the whole mission, that's the vibe. ✨

Needs non-spherical beads in mapping. like, she cannot do her little thing without them. no non-spherical beads in your mapping? she's giving nothing. 🦋

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🎀 OPTIONS 🎀

here come the options, and every single one of them is staying, periodt. (the original labels these "Allowed options", so here we go.)

💜 Allowed options

• -h, --help — display this help and exit. the "girl help" button, extremely valid.
• --verbose — be loud and noisy. 🔥
• --verbose1 — be very loud and noisy. louder. we're escalating.
• -v, --verbose2 — be extremly loud and noisy. (that's their spelling, not mine, bestie — I'm keeping it exactly as written.) this is the maximum volume setting, the main character energy of log output. 💀
• --top arg — atomistic topology file. the top file. you know her, you love her.
• --filter arg (=*) — filter molecule names. default is *, so like, everything gets through by default.
• --radialcut arg (=0) — radial cutoff: distance from center where bead is considered. default 0.
• --minrad arg (=0) — minimal distance a parcle has to be apart from center to be considerd. default 0. (again, "parcle" and "considerd" are the original's spelling and I am not touching them.)
• --refmol arg — Reference molecule. your reference. your blueprint. your girl. 👑
• --rbinw arg (=0) — Do multiple r_bins multiple histograms. default 0.

🧚 Mapping options

• --cg arg — coarse graining mapping and bond definitions (xml-file). yes, xml, get into it.
• --map-ignore arg — list of molecules to ignore separated by ;. semicolons, bestie, plural molecules.
• --no-map — disable mapping and act on original trajectory. she'll go straight to the source, no glow-up in between.

🌈 Trajectory options

• --trj arg — atomistic trajectory file. the trajectory itself.
• --begin arg (=0) — skip frames before this time (only works for Gromacs files). default 0. only Gromacs files, so don't come crying to me when it does nothing elsewhere. 🙈
• --first-frame arg (=0) — start with this frame. default 0.
• --nframes arg — process the given number of frames. you say how many, she processes how many. balanced. ⭐

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💜 AUTHORS 💜

Written and maintained by the VOTCA Development Team <devs@votca.org> — absolute legends, we love them, we thank them for their service 🫶

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👑 COPYRIGHT 👑

Copyright 2009-2024 The VOTCA Development Team (<http://www.votca.org>) — well, the URL as plain text, no links here, that's just how we're doing it.

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. fr fr, that's the legal bit, and legal bits do not get paraphrased. 💀

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and that's the page, bestie! 🎀 this whole thing is brought to you by the VOTCA Development Team, it's the csg_sphericalorder User Manual, and yes, it's the one and only CSG_SPHERICALORDER(1). now go calculate some spherical order parameters, you absolute icon. slay. ✨🦋💖