Skip to main content

Extract forcefield parameters of a small molecule using OPLS2005

Project description

Get started:

To run PlopRotTemp you must use the next command on linux shell:

  1. pip install ploprottemp or conda install -c nostrumbiodiscovery ploprottemp
  2. $ /path/to/academic/schrodinger -m PlopRotTemp.main /path/to/mae/ligand


  • cd Examples
  • e.g /opt/schrodinger2017-4/utilities/python /path/to/PlopRotTemp/ AS4_INIT.mae

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 PlopRotTemp, version 1.0.1
Filename, size File type Python version Upload date Hashes
Filename, size PlopRotTemp-1.0.1.tar.gz (74.2 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