https://github.com/insilichem/tangram_vinarelaunch

Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera
https://github.com/insilichem/tangram_vinarelaunch

autodock ucsf-chimera vina

Last synced: about 2 months ago
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Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera

• Host: GitHub
• URL: https://github.com/insilichem/tangram_vinarelaunch
• Owner: insilichem
• Created: 2017-11-15T18:59:07.000Z (about 7 years ago)
• Default Branch: master
• Last Pushed: 2019-02-01T17:48:28.000Z (almost 6 years ago)
• Last Synced: 2023-10-20T20:24:08.871Z (about 1 year ago)
• Topics: autodock, ucsf-chimera, vina
• Language: Python
• Homepage: http://tangram-suite.readthedocs.io/en/latest/tangram_revina.html
• Size: 22.5 KB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# AutoDock Vina Relaunch

UCSF Chimera has an extension to submit AutoDock calculations to OPAL web services (and locally). However, sometimes the input file is not correctly built and it results in an error that the user must resolve manually. Then, the GUI has to be configured all over again. This simple GUI allows to submit the files directly, without more configuration that the .conf file already carries.