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I am trying to install AutoDock-Vina-GPU-2.1, but unable to do so.
I have tested that openCL and Boost works
I have triple checked that the Makefile is correct:
#Need to be modified according to…
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I have tried with 5 lignads(such as 5wl0,1jla,1aet,5tim,4fev) for Vina GPU with the center values and box volume(x,y,x) which worked fine while in Autodock Vina CPU(for 1.2.5) with corrosponding value…
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It would be very nice to port it to a conda package like the original Autodock, Vina, Smina, and others
Examples:
- https://anaconda.org/bioconda/smina
- https://anaconda.org/bioconda/autodock-vina…
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Hi,
I have followed the instructions in README to compile and install `QuickVina2-GPU-2-1`.
But when I run the example, it returns:
```
###################################################…
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Hi,
I am running autodock-vina tutorial data (https://github.com/ccsb-scripps/AutoDock-Vina/tree/develop/example/flexible_docking) and Vina-GPU gives an error when running with the --flex option.
…
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Hi Uni-Dock team.
I'm working with some molecules for which carbon rings are broken to model them flexibly.
Apparently this results in large discrepancies in the computed favorability of the bin…
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Hi, I'm not sure what's the difference between the following versions of vina:
(1) this vina (ccsb-scripps/AutoDock-Vina)
(2) vina in https://vina.scripps.edu/downloads/
(3) Qvina in https://github…
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I've downloaded the mac os file "vina_1.2.3_mac_x86_64" and put it into a folder on my mac. I've set the Autodock Vina to run as a local file and pointed Chimera to the file I downloaded, but when I t…
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hello sir,
please help me in resolving the syntax error in the below mentioned code ...
file name is correct.
oddt_cli input_ligands.sdf --dock autodock_vina --receptor rec.mol2 --auto_ligan…