The Molecular Graphics Laboratory Forum
AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
AutoDock 3, 4
31 topics • Page 1 of 2 • 1, 2
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- AutoDock 4.2.1 Release Notes
by sargis » Thu Jun 25, 2009 5:10 pm - 0 Replies
- 208 Views
- Last post by sargis
Thu Jun 25, 2009 5:10 pm
- AutoDock 4.2.1 Release Notes
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- How to run ADock4 in parallel?
by cmaroun » Fri Nov 20, 2009 10:55 am - 1 Replies
- 7 Views
- Last post by Corgan
Fri Nov 20, 2009 7:04 pm
- How to run ADock4 in parallel?
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- Flexible Receptor Docking
by Corgan » Fri Nov 20, 2009 6:27 pm - 0 Replies
- 5 Views
- Last post by Corgan
Fri Nov 20, 2009 6:27 pm
- Flexible Receptor Docking
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- Maximum Number of Grid Points
by Corgan » Tue Sep 01, 2009 8:02 pm - 1 Replies
- 70 Views
- Last post by Corgan
Fri Nov 20, 2009 6:10 pm
- Maximum Number of Grid Points
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- Docking with Simulated Annealing and trial to fix atom
by tassos » Wed Nov 18, 2009 4:33 pm - 1 Replies
- 10 Views
- Last post by mswingle
Fri Nov 20, 2009 6:01 pm
- Docking with Simulated Annealing and trial to fix atom
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- running virtual screening tutorial
by mcbenus » Fri Nov 13, 2009 7:06 pm - 0 Replies
- 15 Views
- Last post by mcbenus
Fri Nov 13, 2009 7:06 pm
- running virtual screening tutorial
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- autodock error
by onurx » Mon Sep 14, 2009 7:22 am - 2 Replies
- 96 Views
- Last post by onurx
Fri Nov 13, 2009 8:37 am
- autodock error
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- Problem properly saving file as a PDBQT
by Corgan » Tue Sep 01, 2009 10:23 pm - 1 Replies
- 125 Views
- Last post by ssarchana
Wed Nov 11, 2009 6:43 am
- Problem properly saving file as a PDBQT
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- AUTODOCK ERROR "RECEPTOR ATOM TYPES"
by pufspufs » Thu Nov 05, 2009 2:23 pm - 1 Replies
- 22 Views
- Last post by mswingle
Thu Nov 05, 2009 5:51 pm
- AUTODOCK ERROR "RECEPTOR ATOM TYPES"
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- Accelerat autodock 4.0 using CUDA for parallel computations
by qianlee » Wed Nov 04, 2009 7:01 am - 0 Replies
- 34 Views
- Last post by qianlee
Wed Nov 04, 2009 7:01 am
- Accelerat autodock 4.0 using CUDA for parallel computations
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- Unable to detect root in halothane
by ssarchana » Fri Oct 30, 2009 8:23 am - 0 Replies
- 12 Views
- Last post by ssarchana
Fri Oct 30, 2009 8:23 am
- 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 - 0 Replies
- 10 Views
- Last post by ssarchana
Fri Oct 30, 2009 4:55 am
- Machine hanging during Analysis of docking results
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- problem of calculating rmsd
by stonefonly » Fri Oct 23, 2009 8:16 am - 3 Replies
- 50 Views
- Last post by stonefonly
Tue Oct 27, 2009 9:54 am
- problem of calculating rmsd
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- gausstorcon for rotamer constraints?
by mswingle » Mon Oct 26, 2009 10:50 pm - 0 Replies
- 5 Views
- Last post by mswingle
Mon Oct 26, 2009 10:50 pm
- gausstorcon for rotamer constraints?
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- Autodock 4 maximum number of torsions problem
by sushilbioinfo » Wed Oct 21, 2009 4:09 am - 0 Replies
- 31 Views
- Last post by sushilbioinfo
Wed Oct 21, 2009 4:09 am
- Autodock 4 maximum number of torsions problem
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- Autodock and Water Molecules
by nfloquet » Mon Sep 07, 2009 9:57 am - 2 Replies
- 304 Views
- Last post by bones mcghee
Fri Oct 09, 2009 1:06 am
- Autodock and Water Molecules
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- AutoDock Optimization
by srimks » Wed Oct 07, 2009 9:55 am - 0 Replies
- 47 Views
- Last post by srimks
Wed Oct 07, 2009 9:55 am
- AutoDock Optimization
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- addition of all hydrogen to ligand
by awantika shrivastava » Mon Oct 05, 2009 11:06 am - 1 Replies
- 70 Views
- Last post by oleg_trott
Tue Oct 06, 2009 12:53 am
- addition of all hydrogen to ligand
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- Error! energy is infinite!
by Corgan » Wed Sep 02, 2009 6:22 pm - 1 Replies
- 452 Views
- Last post by anndring
Fri Oct 02, 2009 4:52 pm
- Error! energy is infinite!
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- how to convert dovis score in to free energy
by ravi kumar » Thu Sep 24, 2009 2:16 pm - 0 Replies
- 23 Views
- Last post by ravi kumar
Thu Sep 24, 2009 2:16 pm
- how to convert dovis score in to free energy
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- AutoGrid ERROR
by liuleka » Thu Sep 24, 2009 9:39 am - 0 Replies
- 30 Views
- Last post by liuleka
Thu Sep 24, 2009 9:39 am
- AutoGrid ERROR
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- Autodock 4.2 error "floating exception"
by qianlee » Wed Sep 16, 2009 2:36 am - 1 Replies
- 69 Views
- Last post by nicolas
Fri Sep 18, 2009 1:49 pm
- Autodock 4.2 error "floating exception"
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- Rotation of a ligand about its main axis
by nicolas » Wed Aug 26, 2009 4:26 pm - 2 Replies
- 934 Views
- Last post by nicolas
Thu Aug 27, 2009 10:26 am
- Rotation of a ligand about its main axis
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- Running autogrid...
by wolf » Fri Jul 17, 2009 8:40 pm - 6 Replies
- 614 Views
- Last post by manish_bits
Sat Aug 22, 2009 9:58 am
- Running autogrid...
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- Autodock 4.0.1 sources not available?
by Jerome » Mon Aug 10, 2009 6:52 pm - 1 Replies
- 166 Views
- Last post by newyu
Sat Aug 22, 2009 1:35 am
- Autodock 4.0.1 sources not available?
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- AUTODOCK4::Command Line::Completion Time (take more time).
by remya » Mon Aug 17, 2009 8:21 am - 1 Replies
- 500 Views
- Last post by oleg_trott
Mon Aug 17, 2009 10:25 am
- AUTODOCK4::Command Line::Completion Time (take more time).
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