AutoDock4.2.6 Part-1 Installation and Preparing your system
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- เผยแพร่เมื่อ 25 ก.ย. 2024
- #AutoDock
#HowtoinstallAutoDock
#HowtoInstallMGLTools
#HowtoInstallDiscoverystudio
KNP's Pharmaceutical Chemistry
Welcome All
Installation Links
1. Auto Dock: autodock.scrip...
2. MGL Tools: ccsb.scripps.e...
3. Discovery Studio: discover.3ds.c...
4. Open Babel: openbabel.org/...
After Installation
1. copy two files from the below path
C:\Program Files (x86)\The Scripps Research Institute\Autodock\4.2.6
from the distination folder copy autodock4 & autogrid4
past those two files in your working directory/folder
2. copy two files from the below path
C:\Program Files (x86)\MGLTools-1.5.6\Lib\site-packages\AutoDockTools
from the distination folder copy AD4.1_bound.dat & AD4_parameters.dat
past those two files in your working directory/folder
Links for Complete AutoDock 4.2.6 Tutorials
Part-1: Installation and Preparing your System • AutoDock4.2.6 Part-1 I...
Part-2: Protein Cleaning • AutoDock4.2.6 Part-2 P...
Part-3: Protein Preparation • AutoDock4.2.6 Part-3 P...
Part-4: Ligand Preparation • AutoDock4.2.6 Part-4 L...
Part-5: Generation of Grid Parameter File (GPF) • AutoDock4.2.6 Part-5 G...
Part-6: Generation of Docking Parameter File (DPF) • AutoDock4.2.6 Part-6 G...
Part-7: Running AutoGrid • AutoDock4.2.6 Part-7 R...
Part-8: Running AutoDock Simulations • AutoDock4.2.6 Part-8 R...
Part-9: Analysing and Interpreting Results • AutoDock4.2.6 Part-9 A...
I followed your tutorial, but I still can't run autodock. When I click on the application, it briefly shows a blank window that disappears immediately after. Nothing else happens. Help me pls
I'm facing the same problem, please help me to solve. Thank you.
Please share the screenshot, so that I can help.
Please on the video i saw that there was an Autodock demo of 1kb in the working folder before you copied the two files in into it. I downloaded and got the two files but there is no Autodock demo and there's no working folder.
Please assist me
Could you solve this problem? I have this problem too in my computer.
Please help me
how to fix swig/python detected a memory leak of type 'BHtree *', no destructor found...................molecule is not visible while load molecue kindly help me out..........thank you
Watched all the part.. but unable to do docking metal complex taking as ligand..is there any different methods/apps for metal complex docking with protein or DNA. Kindly help
Thank you for watching our videos.
For docking metal complexes using AutoDock we need to incorporate the metal parameters in to AutoDock parameter files i.e., AD4.1_bound.dat & AD4_parameters.dat.
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Sir how do I paste the autodock4 and autogrid4 to working folder if the working folder is showing like a short cut folder only, and if I open it, the demo is shown, there is no working folder saved in my laptop while installing, only the demo folder is shown like a short cut file, do I need to create that folder myself
Yourself have to create the working folder. Then copy autodock4 and autogrid4.
Unable to download discovery studio, how do you download it?
When I added Se , I can't run autodock, it is shown in the dlg file that "I can't find or open 7d6h.Se.map"
Plzz help me sir
Thank you for watching our channel.
Autodock can't read Selenium and we need to add the parameters of selenium manually.
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the link to mgl tools does not work could you please update it
this is the updated link:
ccsb.scripps.edu/mgltools/downloads/
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Thank you for sharing wonderful Video
Thanks and Welcome.
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The link to AutoDock Vina doesn't work, can you updated please
Dear Saad Fettach,
Thanks for bringing this aspect to us.
The link was updated.
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hii sir but in my case this folder is empty??? how can i correct
Thank you for watching our channel.
Follow the steps exactly.
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Informative video. but can you tell me when we copy the autogrid4 and autodock4 how do we make it to .exe. I'm confused since 2 days. please do help
By default the autogrid4 and autodock4 are .exe files. No need to do anything. Simply copy and use them.
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@@KNPPharmaceuticalChemistry thankyou so much savior
@@praajnatherockstar Thank you and Subscribe for more updates.
Very useful videos. Thank you very much
Thanks and Welcome.
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Thanks for making this Sir
Thanks and welcome.
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