CSG_DENSITY(1)

📦
version 2025.1 · 3 versions
, in debian trixie, fedora 43, fedora 44, ubuntu questing, ubuntu resolute

💖 CSG_DENSITY 💖

okay bestie, welcome to the csg_density(1) page from the General Commands Manual — she's part of the VOTCA package and she's here to serve density profiles 💅

✨ NAME ✨

csg_density — part of the VOTCA package 🫶

🌸 SYNOPSIS 🌸

csg_density [OPTIONS]
csg_density [--help]

🦋 DESCRIPTION 🦋

So basically she calculates the mass density distribution along a box axis, OR a radial density profile from a reference point. That's it, that's the whole vibe. Density girlies rise 🌈

👑 OPTIONS 👑

allowed options, no gatekeeping:

  • -h, --help — display this help and exit 💖
  • --verbose — be loud and noisy 🗣️
  • --verbose1 — be very loud and noisy 😭
  • -v, --verbose2 — be extremly loud and noisy 💀
  • --top arg — atomistic topology file

🎀 Mapping options 🎀

  • --cg arg — [OPTIONAL] coarse graining mapping and bond definitions (xml-file). If no file is given, program acts on original trajectory
  • --map-ignore arg — list of molecules to ignore if mapping is done, separated by ;

💅 Specific options:: 💅

  • --type arg (=mass) — density type: mass or number
  • --axis arg (=r) — [x|y|z|r] density axis (r=spherical) 🍓
  • --step arg (=0.01) — spacing of density
  • --block-length arg — write blocks of this length, the averages are cleared after every write
  • --out arg — Output file
  • --rmax arg — rmax (default for [r] =min of all box vectors/2, else l )
  • --scale arg (=1) — scale factor for the density
  • --molname arg (=*) — molname
  • --filter arg (=*) — filter bead names
  • --ref arg — reference zero point

🧚 Trajectory options 🧚

  • --trj arg — atomistic trajectory file
  • --begin arg (=0) — skip frames before this time (only works for Gromacs files)
  • --first-frame arg (=0) — start with this frame
  • --nframes arg — process the given number of frames

💜 AUTHORS 💜

Written and maintained by the VOTCA Development Team <devs@votca.org> — iconic behavior fr fr 👑

Copyright 2009-2024 The VOTCA Development Team (http://www.votca.org)

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.

not me being legally required to include all of that but honestly? queen shit, we love a license 💖

and that's the whole page bestie, no cap 🫶 this was the csg_density User Manual, page CSG_DENSITY(1), brought to you by the VOTCA Development Team 💖✨ go calculate some densities, you got this 💅

📦 where this page comes from