- Видео 7
- Просмотров 95 754
Maciej Stawikowski
США
Добавлен 20 янв 2016
Saving Autodock VIna Docked Complex Model in Chimera
Saving Autodock VIna Docked Complex Model in Chimera
Просмотров: 4 891
Видео
How to merge and split pdf files using PDFSam (Basic) software
Просмотров 15 тыс.4 года назад
PDFSam (Basic) is a great open source software to manipulate PDF Files. You can download it from here: pdfsam.org/download-pdfsam-basic/
3D printing: Zcode file generation
Просмотров 6564 года назад
This video describes conversion of *.stl model file to *.zcode file redy for 3D printing using Zortrax M200 printer.
Homology Modeling using Modeller and Chimera
Просмотров 15 тыс.5 лет назад
Homology Modeling using Modeller and UCSF Chimera. Modeller's website: salilab.org/modeller/
Intro to Molecular Dynamics
Просмотров 5 тыс.5 лет назад
Introduction to molecular dynamics using UCSF Chimera
Molecular Docking using AutoDock Vina and UCSF Chimera
Просмотров 48 тыс.5 лет назад
This is an introduction to molecular docking using AutoDock Vina and UCSF Chimera. AutoDock Vina link: vina.scripps.edu/
Making molecular animations using UCSF Chimera
Просмотров 8 тыс.5 лет назад
How to make molecular animations UCSF Chimera.
How can i calculate delta G with chimera?
Nice tutorial! How to save as pdb format?
Thank you for an informative tutorial. Please could you tell me why I get two sets of docking results when I only have one protein and one ligand? I get one set on pressing apply and different set on pressing ok in the set-up dialogue box. What is the difference between the two sets of results? (The energies are not the same).
Why you are not adding charges and hydrogen atoms to ligands and protein before docking.
can you please tell me how to find my executable location for auto dock vina ??
the scripps research institute/vina
When you download AutoDock Vina, the program is automatically stored in a file called "The Scripps Research Institute." If you are using Windows 64, that will be found under "C:\Program Files (x86)\The Scripps Research Institute". You can move the program file to any other file location that you want.
I dont think he is doing the right thing. He has neither added hdyrogen atoms nor distributed the charges which can be done using chimera
This is very helpful, thanks a lot for posting this!
what is this, why is your screen cut, I don't even know what you are pressing
I think Maciej did a great job with this, but in case it's helpful, I made a supplemental video where I basically just follow along with Maciej's tutorial and show the menu selections in more detail: ruclips.net/video/8I1BP201yLQ/видео.html
@@GianmarcGrazioliPhD Thank you very much! I'm also having a hard time to understand this video because can't see what exactly he's clicking. Yours is very helpful
Thank you for this informative tutorial. Is it possible do high throughput VS screening using vina Chimera.
It is mean that before we conducted spesifik docking we have to blind docking first, right?
very informative. Can you please suggest why after docking i am getting two posses of the ligand at the binding site
Hello thanks for your video Is it different using autodock tools and chimera?? I got different result from using ADT and chimera..
hello, did u manage to get the answer for this? I am using chimera bus auto dock tools cannot run on my laptop
Muchas gracias!
Thanks for this video, how can you control the box size ? I tried to click on ctrl and 2 with continues pushing on left click but didn't get any boxes !? Can you explain?
I have the same problem, you can try "Ctrl button 1" or "button 1" mode. I found it effective in my case
Hi may i ask that how should i save the pdb file with the selected query model?
Very useful tutorial, thanks.
i modelled a target protein only through the use of modeller 9.22, but now i want to use that protein for docking , but before that i need to do minimization of protein structure, can you tell me how to do it through chimera ?
That is a subject for another video.... In summary: plato.cgl.ucsf.edu/chimera/docs/ContributedSoftware/minimize/minimize.html but remember this is minimization in vacuum...you could solvate your protein and minimize firs for much more reliable results...See Tools > Amber >Solvate...
Please can you help me with how to draw a grid box. I am not clear with that step
After a box has been created, it can be erased or further adjusted. Clicking the assigned button at a point not over the box erases the box. Dragging from a point over the box moves the frontmost face; also holding down Shift moves the the rearmost face instead of the frontmost. Dragging from a point not over the box translates the whole box in X and Y; Shift-dragging translates the box in the Z dimension. www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html
How does the program determine where the protein is positioned relative to the receptor?
It does not. You can manipulate if freely.
Hi Dr Macienj, I'm performing molecular docking using Chimera app and Autodock Vina on Mac OS. The protein I open in Chimera has selenocysteine in it's active site, and it's avoiding me to do the docking, showing the following error: "The geometries and expected number of substituents for some atoms in the current models are unknown. These atoms are listed below. For each, please indicate the expected geometry and number of substituents. When done, click 'OK'." What should I do to fix this problem
Hi, i had the same problem, did you can fix it?? Please i apreciate your help
Try using Tools -> Surface/Binding Analysis -> Dock Prep and run default settings (with "Incomplete side chains" checked) on the receptor before running the docking analysis
how did you selected only benzamidin reside that is not clear and not visible path. kindly help me in this regard.
Thank you for the tutorial. Please, how were you able to move the box independently.
Hi , your tutorial is great. Could you also show how we can show possible intermolecular bonds, such as salt bridges? Is there a way to predict? Also, how do we get the binding energy?
Hi, nice video. I have a question, I've seen tutorials of how to do docking and sometimes they use the option Dock Prep before to use the tool autodock vina, for prepare protein, ligand and assign charges, which option is the correct? or is the same? Thanks.
Dock Prep is used for docking using DOCK software. Dock Prep performs several tasks to prepare structures for DOCK or for other calculations, such as: -deleting water molecules -repairing truncated sidechains -adding hydrogens -assigning partial charges -writing files in Mol2 format So if your model needs some "cleanup" you can go ahead and use it.