Skip to main content

A script to turn molecular coordinates files into SCAD files

Project description

mol2scad

gpl3.0 Language grade: Python CodeFactor Code style: black PyPI

mol2scad is a script to turn molecular coordinates into SCAD files. Takes molfile / sdf coordinates as input, outputs a scad file for OpenSCAD.

Usage

python mol2scad.py -i <input molfile> -o <output scadfile>

or if installed via pip install mol2scad:

mol2scad -i <input molfile> -o <output scadfile>

A useful tool to obtain mol files is available via NIST.

Authors

Implementation builds on on makebucky.scad at http://www.thingiverse.com/thing:12675 by Paul Moews.

This script is developed as academic software by Dr. Andrew J. Bonham at the Metropolitan State University of Denver.

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

mol2scad-1.1.0.tar.gz (3.7 kB view details)

Uploaded Source

Built Distribution

mol2scad-1.1.0-py3-none-any.whl (3.9 kB view details)

Uploaded Python 3

File details

Details for the file mol2scad-1.1.0.tar.gz.

File metadata

  • Download URL: mol2scad-1.1.0.tar.gz
  • Upload date:
  • Size: 3.7 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.3.0 pkginfo/1.7.0 requests/2.25.1 setuptools/52.0.0.post20210125 requests-toolbelt/0.9.1 tqdm/4.56.0 CPython/3.8.5

File hashes

Hashes for mol2scad-1.1.0.tar.gz
Algorithm Hash digest
SHA256 c0539c471788ea020f7743fae1c1119120f54a62a9b3760b55fb9268a382fa05
MD5 e81a74411e72f6f8d0e68e286862b1d2
BLAKE2b-256 90357713e502138afb90786872588e6776e3aaf4b068371e14ae7b0077662ff1

See more details on using hashes here.

File details

Details for the file mol2scad-1.1.0-py3-none-any.whl.

File metadata

  • Download URL: mol2scad-1.1.0-py3-none-any.whl
  • Upload date:
  • Size: 3.9 kB
  • Tags: Python 3
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/3.3.0 pkginfo/1.7.0 requests/2.25.1 setuptools/52.0.0.post20210125 requests-toolbelt/0.9.1 tqdm/4.56.0 CPython/3.8.5

File hashes

Hashes for mol2scad-1.1.0-py3-none-any.whl
Algorithm Hash digest
SHA256 3012bcaa8733af133f76379e622197684a134c360573b536fe201d764af8d375
MD5 5f893f406851a70f4dae04cf494951fc
BLAKE2b-256 e1cb9c9870f13be1d10bfbf0e78ca77bd55cf64cfc456ac1ec731b2ff1665a03

See more details on using hashes here.

Supported by

AWS AWS Cloud computing and Security Sponsor Datadog Datadog Monitoring Fastly Fastly CDN Google Google Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Sentry Sentry Error logging StatusPage StatusPage Status page