NUMSA(1)

💖 NAME 💖

okay so bestie, welcome to NUMSA(1) — the manual page for numsa, and its whole thing is Numerical evaluation of surface areas. slay. 💅✨

✨ SYNOPSIS ✨

numsa [options] input

🦋 DESCRIPTION 🦋

It calculates the surface area for a molecular structure input. that's the assignment, and it ate. 🫶

🎀 OPTIONS 🎀

• --probe real — sets the probe radius for the integration; default is 1.4Å. 🍓
• --offset real — sets the offset for the real space cutoff; default is 2.0Å. ✨
• --smoothing real — sets the smoothing parameter for the integration; default is 0.3Å. 🎀
• --rad-type str — selects the van-der-Waals radii set: d3, cosmo, or bondi. 💅
• -i, --input format — gives a hint for the format of the input file. iykyk. 🦋
• *--version — prints program version and exits. yup, the page really has that lil star there. ⭐
• *--help — shows this help message. also with the star. 😭

🫶 and that's a wrap on the NUMSA(1) page, dated 1980-01-01. byeee bestie 💋✨