https://github.com/tmorrell/psf2pdb

Convert CHARMM psf and a pdb file to a pdb file with CONNECT information. Useful for ensuring correct bonding in visualization programs such as pymol.
https://github.com/tmorrell/psf2pdb

Last synced: about 1 year ago
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Convert CHARMM psf and a pdb file to a pdb file with CONNECT information. Useful for ensuring correct bonding in visualization programs such as pymol.

• Host: GitHub
• URL: https://github.com/tmorrell/psf2pdb
• Owner: tmorrell
• License: mit
• Created: 2015-02-01T16:48:01.000Z (over 11 years ago)
• Default Branch: master
• Last Pushed: 2019-04-08T21:01:09.000Z (about 7 years ago)
• Last Synced: 2025-02-16T07:13:10.019Z (over 1 year ago)
• Language: Python
• Homepage:
• Size: 3.91 KB
• Stars: 2
• Watchers: 2
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# psf2pdb

[![DOI](https://www.zenodo.org/badge/30152294.svg)](https://www.zenodo.org/badge/latestdoi/30152294)

Convert CHARMM psf and a pdb file to a pdb file with CONNECT information.  Useful for ensuring correct bonding in visualization programs such as pymol.

Usage: python psf2pdb.py pdb_file_name psf_file_name output_file_name