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mgltools-pyautodock_1.5.7-3_all.deb
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مشاهده بیشتر
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مشاهده بیشتر
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مشاهده بیشتر
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مشاهده بیشترتوضیحات
Python implementation of autodock
| ویژگی | مقدار |
|---|---|
| سیستم عامل | Linux |
| توزیع | Debian Buster-10 |
| مخزن | Debian non-free all |
| نام بسته | mgltools-pyautodock |
| نام فایل بسته | mgltools-pyautodock_1.5.7-3_all.deb |
| نسخه بسته | 1.5.7 |
| انتشار بسته | 3 |
| معماری بسته | all |
| نگهدارنده | Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org> |
| تاریخ ساخت | - |
| هاست سازنده | - |
| نوع بسته | .deb |
| آدرس صفحه اصلی | http://autodock.scripps.edu/ |
| مجوز | - |
| حجم دانلود | 9204080 |
| حجم نصب | 44879 |
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. This package provides a Python
implementation of the autodock3 scoring function and of the new
autodock4 scoring function. Also it includes a Python implementation
of AutoGrid.
.
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.
نیازمندی
| مقدار | نام |
|---|---|
| << 2.8 | python:any |
| >= 2.7~ | python:any |
| - | python-numpy |
| - | mgltools-molkit |
نحوه نصب
نصب پکیج deb mgltools-pyautodock:
sudo apt-get install mgltools-pyautodock_1.5.7-3_all.deb
فایل ها
| مسیرها |
|---|
| ./usr/lib/python2.7/dist-packages/PyAutoDock/AutoDockScorer.py |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/AutoGrid.py |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/InternalEnergy.py |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/LICENSE |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/MolecularSystem.py |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/MolecularSystemAdapter.py |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1a30_docked.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1crn.pdb |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.C.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.HD.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.N.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.OA.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.d.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/1met_rigid.e.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/3pt.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/3pt.pdbqs |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/3pt.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/4pt.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/4pt.pdbqs |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/4pt.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/4pt3pt_dsolv_data |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/4pt3pt_estat_data |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/d1.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/d1.pdbqs |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/dlg_coords_ind.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/docked_ind.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/evaluator_results |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.A.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.C.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.H.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.N.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.O.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.e.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.pdbqs |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.A.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.C.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.H.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.N.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.O.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.e.map |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.maps.fld |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.maps.xyz |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/hsg1_sm.pdbqs |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/ind.out.pdbq |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/ind.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/piece_d1.pdbqt |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/ref.maps.fld |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/ref.maps.xyz |
| ./usr/lib/python2.7/dist-packages/PyAutoDock/Tests/Data/reference00.A.map |
| ... and 41 more |