autodocktools_1.5.7~rc1+cvs.20140424-1_all.deb


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Description

autodocktools - GUI to help set up, launch and analyze AutoDock dockings

Property Value
Distribution Debian 8 (Jessie)
Repository Debian Nonfree i386
Package filename autodocktools_1.5.7~rc1+cvs.20140424-1_all.deb
Package name autodocktools
Package version 1.5.7~rc1+cvs.20140424
Package release 1
Package architecture all
Package type deb
Category field::biology field::biology:structural field::chemistry interface::x11 non-free/science role::program science::modelling scope::suite uitoolkit::tk use::analysing use::configuring use::converting use::simulating use::viewing works-with-format::TODO works-with::3dmodel x11::application
Homepage http://autodock.scripps.edu/
License -
Maintainer Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Download size 11.26 MB
Installed size 57.78 MB
This package is part of the mgltools set of Python libraries which
provide an infrastructure for the analysis of protein structures and
their docking of chemical compounds.
AutoDock is a well established package for the automated screening of
libraries of formal representation of chemical compounds that putatively
bind to a particular protein at hand. This package provides a graphical
user interface that is helping with the preparation of the protein
for such analyses.
The tool AutoLigand, which may help to constrain the location of the
binding pocket for yet undescribed proteins,  is accompanying the
main executable 'runAdt'.

Alternatives

Package Version Architecture Repository
autodocktools_1.5.7~rc1+cvs.20140424-1_all.deb 1.5.7~rc1+cvs.20140424 all Debian Nonfree
autodocktools - - -

Requires

Name Value
mgltools-molkit -
mgltools-pmv -
mgltools-support -
mgltools-viewerframework -
mgltools-volume -
python << 2.8
python >= 2.7
python-imaging-tk -

Download

Type URL
Mirror ftp.br.debian.org
Binary Package autodocktools_1.5.7~rc1+cvs.20140424-1_all.deb
Source Package autodocktools

Install Howto

  1. Update the package index:
    # sudo apt-get update
  2. Install autodocktools deb package:
    # sudo apt-get install autodocktools

Files

Path
/usr/bin/autodocktools
/usr/bin/autoligand
/usr/bin/runAdt
/usr/lib/python2.7/dist-packages/AutoDockTools-1.5.6.egg-info
/usr/lib/python2.7/dist-packages/AutoDockTools/AD4.1_bound.dat
/usr/lib/python2.7/dist-packages/AutoDockTools/AD4_parameters.dat
/usr/lib/python2.7/dist-packages/AutoDockTools/AutoDockBondClassifier.py
/usr/lib/python2.7/dist-packages/AutoDockTools/AutoLigand.py
/usr/lib/python2.7/dist-packages/AutoDockTools/AutoLigandCommand.py
/usr/lib/python2.7/dist-packages/AutoDockTools/ConfPlayer.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Conformation.py
/usr/lib/python2.7/dist-packages/AutoDockTools/DlgFilters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/DlgParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Docking.py
/usr/lib/python2.7/dist-packages/AutoDockTools/DockingFilters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/DockingParameters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/EntropiaParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/EpdbParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/GridParameters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/InteractionDetector.py
/usr/lib/python2.7/dist-packages/AutoDockTools/LigandMixin.py
/usr/lib/python2.7/dist-packages/AutoDockTools/MoleculePreparation.py
/usr/lib/python2.7/dist-packages/AutoDockTools/RELNOTES
/usr/lib/python2.7/dist-packages/AutoDockTools/ResultParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/TrajParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/VSResultFilters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/WebServices.py
/usr/lib/python2.7/dist-packages/AutoDockTools/XMLParser.py
/usr/lib/python2.7/dist-packages/AutoDockTools/__init__.py
/usr/lib/python2.7/dist-packages/AutoDockTools/adthosts.py
/usr/lib/python2.7/dist-packages/AutoDockTools/atomTypeTools.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyze3Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyze41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyze4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoanalyzeCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autodockHosts.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autodpf3Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autodpf41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autodpf4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autodpfCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoflex41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoflex4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autoflexCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autogpf3Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autogpf41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autogpf4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autogpfCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autopilotCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autostart3Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autostart41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autostart4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autostartCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autotors3Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autotors41Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autotors4Commands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/autotorsCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/cluster.py
/usr/lib/python2.7/dist-packages/AutoDockTools/cluster_ad.py
/usr/lib/python2.7/dist-packages/AutoDockTools/cmdlib.py
/usr/lib/python2.7/dist-packages/AutoDockTools/energyCalculator.py
/usr/lib/python2.7/dist-packages/AutoDockTools/energyConstants.py
/usr/lib/python2.7/dist-packages/AutoDockTools/filterLigands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/histogram.py
/usr/lib/python2.7/dist-packages/AutoDockTools/interactiveHistogramGraph.py
/usr/lib/python2.7/dist-packages/AutoDockTools/lib_parameter_file_writer.py
/usr/lib/python2.7/dist-packages/AutoDockTools/modlib.py
/usr/lib/python2.7/dist-packages/AutoDockTools/pixelMap2D.py
/usr/lib/python2.7/dist-packages/AutoDockTools/pyAutoDockCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/sol_par.py
/usr/lib/python2.7/dist-packages/AutoDockTools/waterMapBuilder.py
/usr/lib/python2.7/dist-packages/AutoDockTools/CADD/__init__.py
/usr/lib/python2.7/dist-packages/AutoDockTools/CADD/cadd.py
/usr/lib/python2.7/dist-packages/AutoDockTools/CADD/VisionNetworks/VS_net.py
/usr/lib/python2.7/dist-packages/AutoDockTools/CADD/VisionNetworks/__init__.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Objects/__init__.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/0033.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/14_ind.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1crn.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1crn.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1crn.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1dwd_rec.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1ebg_lig.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1ebg_rec.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1hvr_rec.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/1xyz_rec.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/2176.res
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.A.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.C.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.HD.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.N.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.NA.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.OA.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.d.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.e.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.maps.fld
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/AG4_hsg1.maps.xyz
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/CathepsinB_flex.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/CathepsinB_rigid.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/FGA3.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ZINC02025973_vs_lc.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ZINC02025973_vs_le.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ZINC02026663_vs.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ZINC02027973_vs.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/__init__.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/clean.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/compare_ligand_files.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/cov_flex.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/cov_lig.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/cov_rec.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/cyclohexanePhePh.mol2
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/d1.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/diversity1483.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/diversity1483_x1hpv.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/docked.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/docked4.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/extra.S.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/flap.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/flash.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/fx.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.A.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.C.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.H.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.N.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.O.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.e.map
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.maps.fld
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.maps.xyz
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1V.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1_4.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1_FE.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1_flex.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1_ind.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg1_rigid.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg2.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/hsg2_ind.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind4.1.1.DLG
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind4.1.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind_hsg1_v4.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind_rigid.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ind_zero.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/met46_flex.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/mtx.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/nutlin.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/nutlin.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/pytest_hsg1.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41_1ebg.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41_GA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41_GALS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41_LS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41_SA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref41dpf_GALS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref4_GA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref4_GALS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref4_LS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref4_SA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_1ebg.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_1ebg.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_GA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_GALS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_LS.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_SA.dpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_config_local_only.txt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_config_score_only.txt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_cov.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_hsg.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_hsg1.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_hsg1_flex.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_hsg1_rigid.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_ind.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_ind.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ref_vanilla_config.txt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/statecoord.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/statecoord.xml
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/statecoord_lig.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/std_hsg1.pdbqs
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/std_ind.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/std_ind_setroot_to_5.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/std_ind_with_amide.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD3analyze.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD41_mode.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD41analyze.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD41dpf.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD41flex.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD4analyze.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD4dpf.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD4flex.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AD4gpf.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ADanalyze.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ADdpf.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ADflex.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ADgpf.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AromaticCarbonManager.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AutoDockBondClassifier.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_AutoLigandCommand.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ConfPlayer.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_InteractionDetector.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_LibraryPfWriters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_PyAutoDock.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_allow_amide.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_atomTypeTools.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_dependencies.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_dlg_filters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_ind.clust
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_loadCommands.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_statetocoords.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/test_vsresult_filters.py
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/tt_hsg1.gpf
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/tt_hsg1.pdbqt
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/tut_ind.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/version4221.dlg
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/zma.mol2
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/adenosine.mol2
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/adenosine.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/cholesterol.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/cholesterol.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/db0000.mol2
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/db0000.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/db0000.out_linux.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/faicar.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/faicar.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/fivPIECE.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/fivPIECE.out_linux.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/fivPIECE.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/h2.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/h2.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/hxw1_rit.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/hxw1_rit.out_linux.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/hxw1_rit.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/ld.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/ld.out_linux.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/ld.pdb
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/ligandPROB.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/ligandPROB.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/lov.out.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/lov.pdbq
/usr/lib/python2.7/dist-packages/AutoDockTools/Tests/ligandfiles/mtx.mol2
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/usr/share/pyshared/AutoDockTools/Utilities24/Tests/hsg1_ind.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ind.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ind.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ind.pdbqt
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/partial.dlg
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref41_LS.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref41_SA.dpf
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/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref4_SA.dpf
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/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_1ebg.gpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_1ebg41.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_GALS.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_LS.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_SA.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_ad3_dpf.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_autodock_parameter_version4.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_autodock_parameter_version41.dpf
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_autodock_parameter_version42.dpf
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/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_formatted.pdbqt
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_hsg1.pdbqt
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_ind.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ref_plain.pdbqt
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_gasteiger.pdbqs
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_hsg1.pdbqs
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_hsg1_gasteiger.pdbqs
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_ind.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_ind_inactivate_all_torsions.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_ind_setroot_to_5.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_ind_with_amide.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_no_polar_hydrogens.pdbqs
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/std_with_waters.pdbqs
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_dpf3_to_dpf4.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_pdbq_to_pdbqt.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_pdbqs_to_pdbqt.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepareLigand.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepareReceptor.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepare_dpf.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepare_dpf4.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepare_gpf.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_prepare_gpf4.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/test_summarize_results4.py
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/adenosine.mol2
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/adenosine.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/cholesterol.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/cholesterol.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/db0000.mol2
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/db0000.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/db0000.out_linux.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/faicar.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/faicar.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/fivPIECE.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/fivPIECE.out_linux.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/fivPIECE.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/h2.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/h2.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/hxw1_rit.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/hxw1_rit.out_linux.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/hxw1_rit.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/ld.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/ld.out_linux.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/ld.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/ligandPROB.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/ligandPROB.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/lov.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/lov.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/mtx.mol2
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/mtx.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/pieceCRN.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/pieceCRN.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/txp.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/txp.pdb
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/xa.mol2
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/xa.out.pdbq
/usr/share/pyshared/AutoDockTools/Utilities24/Tests/ligandfiles/xa.out_linux.pdbq
/usr/share/pyshared/AutoDockTools/VisionInterface/AD3Dpf.py
/usr/share/pyshared/AutoDockTools/VisionInterface/AD3Gpf.py
/usr/share/pyshared/AutoDockTools/VisionInterface/AdtNodes.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Docking.py
/usr/share/pyshared/AutoDockTools/VisionInterface/PrepareAD3Ligand.py
/usr/share/pyshared/AutoDockTools/VisionInterface/PrepareAD3Receptor.py
/usr/share/pyshared/AutoDockTools/VisionInterface/PrepareAD4Ligand.py
/usr/share/pyshared/AutoDockTools/VisionInterface/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/recluster.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/LigandDB.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/autogrid_results.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/dpf_template.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/gpf_template.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/libTypes.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/receptor.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/receptor_prepared.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Filter/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Filter/filterLigands.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/AutogridResDirectoryBrowser.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/AutogridResURL.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/DPFTemplateBrowser.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/GPFTemplateBrowser.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/GetStructuresFromDir.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/LocalLigandDirectory.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/MakeDPFCopies.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/MakeGPFCopies.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/MakeGpfDpfCopies.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/PreparedStructureBrowser.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/PublicServerLigandDB.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/StructureBrowser.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/UrlLigandDB.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Input/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/AutodockVS.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/AutodockVsCSF.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/ComputeGrids.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/GromosCluster.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/PrepareReceptor.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/PrepareSingleLigand.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/TrajQR.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/Vina.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/VirtualScreening.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/VirtualScreeningCSF.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Macro/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Mapper/ADTFileNames.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Mapper/InputValidation.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Mapper/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Other/__init__.py
/usr/share/pyshared/AutoDockTools/VisionInterface/Adt/Output/__init__.py
/usr/share/pyshared/AutoDockTools/bin/adt
/usr/share/pyshared/AutoDockTools/bin/adt3
/usr/share/pyshared/AutoDockTools/bin/adt4
/usr/share/pyshared/AutoDockTools/bin/runAdt
/usr/share/pyshared/AutoDockTools/bin/runAdt.py

Changelog

2014-04-24 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.7~rc1+cvs.20140424-1) unstable; urgency=medium
* New upstream version.
2013-09-17 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.7~rc1~cvs.20130917-1) unstable; urgency=low
* New upstream version.
2013-05-19 - Thorsten Alteholz <debian@alteholz.de>
autodocktools (1.5.7~rc1~cvs.20130519-1) unstable; urgency=low
* New upstream version.
* debian/control: bump standard to 3.9.4 (no changes)
* debian/control: remove DM-Upload-Allowed
* debian/copyright: add permission for debian to distribute mgltools
2012-03-31 - Andreas Tille <tille@debian.org>
autodocktools (1.5.6~rc3~cvs.20120206-2) UNRELEASED; urgency=low
* debian/upstream: Enhanced citation information
2012-02-06 - Thorsten Alteholz <debian@alteholz.de>
autodocktools (1.5.6~rc3~cvs.20120206-1) unstable; urgency=low
* New upstream version.
2011-12-22 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.6~rc2+cvs.20111222-1) unstable; urgency=low
* New upstream version.
* Indentiation error was adopted by upstream, uncommented patch
2011-12-07 - Andreas Tille <tille@debian.org>
autodocktools (1.5.6~rc2+cvs.20110926-2) UNRELEASED; urgency=low
* Fixed VCS fields in debian/control and debian/README.source
2011-09-27 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.6~rc2+cvs.20110926-1) unstable; urgency=low
* New upstream version.
2011-06-17 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.6~rc1+cvs.20110617-2) UNRELEASED; urgency=low
* New upload (lp: #623984)
* Added suggests on mgltools-cadd.
* Explicitly mentioning the tool AutoLigand. Further work needed.
2011-06-17 - Steffen Moeller <moeller@debian.org>
autodocktools (1.5.6~rc1+cvs.20110617-1) unstable; urgency=low
* New upstream version.

See Also

Package Description
axe_6.1.2-16.2_i386.deb Text editor for X
bison-doc_3.0.2-1_all.deb Documentation for the Bison parser generator
bluez-firmware_1.2-3_all.deb Firmware for Bluetooth devices
broadcom-sta-common_6.30.223.248-3_all.deb Common files for the Broadcom STA Wireless driver
broadcom-sta-dkms_6.30.223.248-3_all.deb dkms source for the Broadcom STA Wireless driver
broadcom-sta-source_6.30.223.248-3_all.deb Source for the Broadcom STA Wireless driver
bsdgames-nonfree_2.17-6_i386.deb rogue, the classic dungeon exploration game
bugsx_1.08-12_i386.deb program to evolve biomorphs using genetic algorithms
c3270_3.3.14ga11-1_i386.deb Curses program for telnet sessions to IBM mainframes
cclib-data_1.1-1_all.deb Parsers and algorithms for computational chemistry (data files)
celestia-common-nonfree_1.6.1-1_all.deb Non-free datafiles for Celestia, a real-time visual space simulation
conserver-client_8.1.18-2.2_i386.deb connect to a console server
conserver-server_8.1.18-2.2_i386.deb connect multiple user to a serial console with logging
context-doc-nonfree_2012.06.27-4_all.deb ConTeXt documentation that is not DFSG free
context-nonfree_2007.03.22-1_all.deb Non-free items from the ConTeXt distribution
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