# --- UCSF Chimera Copyright --- # Copyright (c) 2006 Regents of the University of California. # All rights reserved. This software provided pursuant to a # license agreement containing restrictions on its disclosure, # duplication and use. This notice must be embedded in or # attached to all copies, including partial copies, of the # software or any revisions or derivations thereof. # --- UCSF Chimera Copyright --- import chimera.extension class VinaEMO(chimera.extension.EMO): def name(self): return "AutoDock Vina" def description(self): return "AutoDock Vina web service at NBCR" def categories(self): return ["Surface/Binding Analysis"] #def icon(self): # return self.path("vina.png") def activate(self): # Comment out if no GUI is needed from chimera.dialogs import display display(self.module("gui").VinaDialog.name) return None def cmdLine(self, cmdName, args): # Comment out if no command is needed self.module("cmdline").run(cmdName, args) vinaEmo = VinaEMO(__file__) # Don't register if no GUI chimera.extension.manager.registerExtension(vinaEmo) # Don't register if no command line (Shame on you!) from Midas.midas_text import addCommand addCommand("vina", vinaEmo.cmdLine, help=True) # Above registration actually handles both docking and screening