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 (2821)
Replies Last Post Views
ADL: Question by sandra
0
by sandra
ADL: Facing problem when using raccoon by Swagata Patra
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by Swagata Patra
ADL: how to use raccoon for multiple conformers by Chandra Sekhar-2
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by Chandra Sekhar-2
ADL: Temperature in Binding Affinity Calculation using AutoDock Vina by Stephanie Portelli
1
by Ralph Kfoury
ADL: regarding AUTODOCK VINA virtual screening by Pallavi Mohanty
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by Pallavi Mohanty
ADL: forgotten user name by James Adams
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by James Adams
ADL: Pythonsh problem with the autodock tools by James Starlight
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by James Starlight
ADL: Script by Beale, John
2
by Ralph Kfoury
Raccoon: Multiple protein single ligand docking by Rohan
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by Rohan
ADL: Charge for Zn, Mg and Copper by MajidF
1
by Diogo Martins
ADL: ADL by İbrahim Barış ÖLÜÇ
4
by Vaibhav Dixit
ADL: ADL by İbrahim Barış ÖLÜÇ
2
by Debojit Bhattacherje...
ADL: Adding new metal ion parameter by MajidF
2
by Ralph Kfoury
ADL: ADL by İbrahim Barış ÖLÜÇ
3
by Ralph Kfoury
ADL: ADT by Eleni Ioannou
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by Eleni Ioannou
ADL: Keyword by Beale, John
1
by Stefano Forli
Determining total charge of a DNA molecule by dr. sakura
6
by dr. sakura
ADL: Autodock4Zn by Beale, John
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by Diogo Martins
ADL: AutoDock4Zn by Beale, John
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by Beale, John
ADL: Summer School on Molecular Modeling for Life Sciences in Italy by Stefano Forli
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by Stefano Forli
ADL: QM calculations for ligand and Gasteiger charges for macromolecule? by JUAN ANGEL ORGANERO ...
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by Stefano Forli
ADL: Issues running Vina by Pouland, Timothy R (...
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by Pouland, Timothy R (...
ADL: Zinc parameters by Beale, John
1
by Stefano Forli
ADL: Incorporate distance constraints into docking by Stephen Cochrane
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by Stephen Cochrane
Best parameters to produce different conformations randomly distributed by teruel
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by teruel
Re: ADL: autodock Digest, Vol 139, Issue 19 by Michel Sanner
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by sina f
ADL: the need for some theoretical background by maria timoshik
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by Richard Wood
ADL: term"randomized structure" by maria timoshik
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by maria timoshik
ADL: "python.exe has stopped working" error while installing MGLTools by sina f
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by sina f
ADL: charges by maria timoshik
1
by João Serina
ADL: Difference between cluster RMSD and Ref RMSD by MUHAMMAD INZAMAM
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by MUHAMMAD INZAMAM
Re: ADL: Set Number of Torsions with scripts by Dinler Antunes
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by Sarkis Dallakian
ADL: question on nanoparticles+drugs by seema mehta
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by seema mehta
ADL: Question about Autodock Vina counter ions by Tye Martin
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by Tye Martin
ADL: problem with running the example from video tutorial by maria timoshik
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by maria timoshik
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