The Molecular Graphics Laboratory Forum
AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
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Cmd, Nice Level.........
by shlalxj » Sat Nov 21, 2009 10:06 am in Beginner section - 0
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by shlalxj
Sat Nov 21, 2009 10:06 am
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Cmd, Nice Level.........
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Flexible Receptor Docking
by Corgan » Fri Nov 20, 2009 6:27 pm in AutoDock 3, 4 - 0
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by Corgan
Fri Nov 20, 2009 6:27 pm
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Flexible Receptor Docking
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ANN: PaDEL-ADV for automating virtual screening
by padel » Thu Nov 19, 2009 12:43 am in AutoDock Vina - 0
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by padel
Thu Nov 19, 2009 12:43 am
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ANN: PaDEL-ADV for automating virtual screening
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prepare_ligand.py MolKit problem
by mcbenus » Mon Nov 16, 2009 11:07 pm in MGLTools - 0
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by mcbenus
Mon Nov 16, 2009 11:07 pm
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prepare_ligand.py MolKit problem
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running virtual screening tutorial
by mcbenus » Fri Nov 13, 2009 7:06 pm in AutoDock 3, 4 - 0
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by mcbenus
Fri Nov 13, 2009 7:06 pm
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running virtual screening tutorial
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help with (residues) docking site
by seraf » Mon Nov 09, 2009 5:42 pm in Beginner section - 0
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by seraf
Mon Nov 09, 2009 5:42 pm
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help with (residues) docking site
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error while running autodock vina
by surendramph » Sun Nov 08, 2009 5:43 pm in AutoDock Vina - 0
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by surendramph
Sun Nov 08, 2009 5:43 pm
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error while running autodock vina
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I can't install MGLTools 1.5.6
by zeromtmu » Fri Nov 06, 2009 3:58 am in MGLTools - 0
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by zeromtmu
Fri Nov 06, 2009 3:58 am
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I can't install MGLTools 1.5.6
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Accelerat autodock 4.0 using CUDA for parallel computations
by qianlee » Wed Nov 04, 2009 7:01 am in AutoDock 3, 4 - 0
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by qianlee
Wed Nov 04, 2009 7:01 am
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Accelerat autodock 4.0 using CUDA for parallel computations
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Need urgetn help- "energy is infinite"
by cheng foh » Sat Oct 31, 2009 10:50 am in MGLTools - 0
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by cheng foh
Sat Oct 31, 2009 10:50 am
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Need urgetn help- "energy is infinite"
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Interpreting Results
by adawoodi » Sat Oct 31, 2009 12:35 am in Beginner section - 0
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by adawoodi
Sat Oct 31, 2009 12:35 am
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Interpreting Results
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Unable to detect root in halothane
by ssarchana » Fri Oct 30, 2009 8:23 am in AutoDock 3, 4 - 0
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by ssarchana
Fri Oct 30, 2009 8:23 am
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Unable to detect root in halothane
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Machine hanging during Analysis of docking results
by ssarchana » Fri Oct 30, 2009 4:55 am in AutoDock 3, 4 - 0
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by ssarchana
Fri Oct 30, 2009 4:55 am
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Machine hanging during Analysis of docking results
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error message when i open the pdb file ㅜㅜ;;;
by inloveletter » Tue Oct 27, 2009 9:12 am in MGLTools - 0
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by inloveletter
Tue Oct 27, 2009 9:12 am
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error message when i open the pdb file ㅜㅜ;;;
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gausstorcon for rotamer constraints?
by mswingle » Mon Oct 26, 2009 10:50 pm in AutoDock 3, 4 - 0
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by mswingle
Mon Oct 26, 2009 10:50 pm
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gausstorcon for rotamer constraints?
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use mgltools to calc rmsd between to conformations?
by stonefonly » Sat Oct 24, 2009 9:32 am in MGLTools - 0
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by stonefonly
Sat Oct 24, 2009 9:32 am
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use mgltools to calc rmsd between to conformations?
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how to calculate rmsd between vina dockings&crystal struc?
by stonefonly » Fri Oct 23, 2009 12:10 pm in AutoDock Vina - 0
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by stonefonly
Fri Oct 23, 2009 12:10 pm
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how to calculate rmsd between vina dockings&crystal struc?
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could vina-docked conformations be shown as spheres?
by stonefonly » Thu Oct 22, 2009 10:05 am in MGLTools - 0
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by stonefonly
Thu Oct 22, 2009 10:05 am
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could vina-docked conformations be shown as spheres?
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Autodock 4 maximum number of torsions problem
by sushilbioinfo » Wed Oct 21, 2009 4:09 am in AutoDock 3, 4 - 0
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by sushilbioinfo
Wed Oct 21, 2009 4:09 am
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Autodock 4 maximum number of torsions problem
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Problem with Zn and Cd atoms
by pufspufs » Tue Oct 20, 2009 2:29 am in MGLTools - 0
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by pufspufs
Tue Oct 20, 2009 2:29 am
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Problem with Zn and Cd atoms
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GLerror when trying to run ADT
by Hash-luke » Wed Oct 14, 2009 5:57 am in MGLTools - 0
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by Hash-luke
Wed Oct 14, 2009 5:57 am
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GLerror when trying to run ADT
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how to run MGLTools-1.5.4 in command line
by ericzhang » Tue Oct 13, 2009 2:32 am in Beginner section - 0
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by ericzhang
Tue Oct 13, 2009 2:32 am
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how to run MGLTools-1.5.4 in command line
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AutoDockTools Segmentation Fault
by Nancy » Mon Oct 12, 2009 10:31 pm in MGLTools - 0
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by Nancy
Mon Oct 12, 2009 10:31 pm
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AutoDockTools Segmentation Fault
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ADT ERROR
by dalemu » Sun Oct 11, 2009 11:08 pm in Beginner section - 0
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by dalemu
Sun Oct 11, 2009 11:08 pm
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ADT ERROR
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mgltools cannot work correctly on win xp3
by stonefonly » Thu Oct 08, 2009 12:10 pm in MGLTools - 0
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by stonefonly
Thu Oct 08, 2009 12:10 pm
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mgltools cannot work correctly on win xp3
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