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Pymol-Scripts / Pymol-script-repo

Collected scripts for Pymol
http://www.pymolwiki.org/index.php/Git_intro
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Graphical interface for AutoDock Vina #107

Closed pslacerda closed 2 years ago

pslacerda commented 4 years ago

Loosely based on the original AutoDock plugin. It isn't ready yet, there is more work to do:

  1. test it on Windows
  2. allow other ligand input formats besides SMILES
  3. support other Vina implementations like QVina and SMINA

Must be a more convenient way to set the prefs. I'm thinking of guess the defaults for Ubuntu and Windows and let users adjust the prefs themselves if don't work.

JarrettSJohnson commented 3 years ago

Checking in to see what the status of this PR is since it's been quite some time. @pslacerda

pslacerda commented 2 years ago

i'm needing to make this plugin public.