AutoDock

This forum is an archive for the mailing list autodock@scripps.edu (more options) Messages posted here will be sent to this mailing list.
This list is intended for novice and expert users of the ligand-protein and protein-protein docking software AutoDock, AutoGrid and AutoDockTools (ADT). This list will provide a forum for users to share experience, to ask questions about things not covered in the documentation, and hopefully, to get answers to these questions. Questions may range from technical to scientific, but should be about docking molecules using AutoDock and its associated programs and utilities. Suggestions for new features are also welcome. Announcements of new software versions and functionalities will be made on this list. In general, bugs should not be reported here but entered into our MGLBugzilla database. Just go to http://mgldev.scripps.edu/bugs/ and click on the "Open a new MGLBugzilla account" link.
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Topics (2859)
Replies Last Post Views
ADL: flex res error by Gav-2
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by Gav-2
ADL: sodium, grid box, write complex by Simon Ági
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by sargis
ADL: (no subject) by Marco MELZER
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by Marco MELZER
ADL: using scripts for receptor flexible residues by Gav-2
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by Gav-2
ADL: Grid maps atom type by Dong, L.
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by Dong, L.
ADL: Grid maps atom type by Dong, L.
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by Dong, L.
ADL: TclError: Togl: couldn't get visual by U.Dijkman
1
by Carlos Família
ADL: can autodock run in a quad core processor? by Miguel Quiliano Meza
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by Gav-2
ADL: please advise by Gerardo Byk
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by sargis
ADL: AD4 support Cluster run? by Lijo
3
by Stéphane Téletchéa-3
ADL: ADT frustration by Simon Kolstoe
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by ikerman
ADL: Bug in writePDBQT.cc and PDBQT output from docking by David Lancia, Jr
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by sargis
Re: ADL: autodock Digest, Vol 51, Issue 18 by jose correa
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by jose correa
ADL: problem with # of rotatable bonds for ligands by Ali CAGIR
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by Ali CAGIR
ADL: binding energy is too big!? by SongLing,Ma
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by SongLing,Ma
ADL: Is there a problem in the prepare_gpf4.py script? by Xiang Fu
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by Xiang Fu
ADL: summarize_results4.py gives ValueError by Sebastian Kruggel
1
by Gavin Seddon
ADL: licensing by RadhaCharan Dash
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by arthur olson
ADL: Problem running the "autodock4" by Tatsuya Yoshikawa
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by Tatsuya Yoshikawa
ADL: Your private message from Lakshman is about to expire by Sunil B
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by Sunil B
ADL: problems with pdbqt_to_pdb by Sebastian Kruggel
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by Sebastian Kruggel
ADL: Question with changing TORSDOF by C. Denise Enekwa
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by Stefano Forli
ADL: Errors occurred while running "prepare_receptor4.py" by Tatsuya Yoshikawa
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by Tatsuya Yoshikawa
ADL: questions about docking with flexible receptor by Huiming Li
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by Huiming Li
ADL: ligand prep scripts from the tutorial creating ligands with 0 active torsions by Paul Coffman
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by ikerman
Re: ADL: Virtual Screening by rahmanm
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by rahmanm
ADL: mpi programming issue with autodock4 and ligands with 0 active torsions by Paul Coffman
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by Paul Coffman
ADL: Video Tutorial: Docking using Vina with AutoDock Tools and PyMOL by Oleg Trott
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by Oleg Trott
ADL: movable residues by Gavin Seddon
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by Gavin Seddon
ADL: docking crystal layer to a surface of macromolecule by surasak chunsrivirot
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by surasak chunsrivirot
ADL: Autodock seg fault after recompile by ikerman
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by ikerman
ADL: Unable to assign MAP type to atom Mg!!?? by 刘明-3
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by 刘明-3
ADL: Autodock error and Limited numbers of x, y, z-grid elements in autogrid by Esteban Gabriel Vega...
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by Esteban Gabriel Vega...
ADL: lamarkan dpf by Gavin Seddon
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by Gavin Seddon
ADL: ADT 1.5.2 by Rino Ragno
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by Rino Ragno
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