Skip to main content

Protonize a selection of atoms of protein binding sites.

Project description

promoe Documentation Status Updates

Protonize selected atoms with the use of MOE and Pymol.


overview of promoe


  • Protonize the binding site of a pdb id automatically
  • Remove water atoms that are unable to interact with the ligand after protonization
  • Extract charges for residues
  • Extract all ligand IDs
  • Extract all alternative locations


0.1.0 (2019-09-30)

  • First release on PyPI.

Project details

Download files

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

Files for promoe, version 0.1.0
Filename, size File type Python version Upload date Hashes
Filename, size promoe-0.1.0-py2.py3-none-any.whl (16.8 kB) File type Wheel Python version py2.py3 Upload date Hashes View
Filename, size promoe-0.1.0.tar.gz (17.2 kB) File type Source Python version None Upload date Hashes View

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring DigiCert DigiCert EV certificate Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Microsoft Microsoft PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page