-
Hello,
In old versions of Vina there was no option to set spacing value when docking was being done (default was 1 as per manual). As per manual, we used to set the spacing in grid box view of MGL …
-
1.Change -DSMALL_BOX into -DLARGE_BOX in Makefile
2.Type make source and $(ONE_OF_VINA_GPU_2_1_METHODS) --config ./input_file_example/2bm2_config.txt
execute：
./AutoDock-Vina-GPU-2-1 --config ./i…
-
First of all, thank you for your excellent work. I am very interested in your ideas and tools. I have some questions when reading the peptide docking part. I know a tool specifically for peptide docki…
-
Hello everyone,
I'm currently running a small VS screening campaign on my local work station.
and I've noticed Vina output this message "AutoDock Vina 36dd023-mod" along with "WARNING: At low exhau…
-
Hello, I am trying to install Autodock Vina on a Linux system, but I don't have root privileges, so I cannot perform a source code installation. Is there a command to install Autodock Vina via conda o…
-
### Issue summary
In this paper: AutoDock Vina 1.2.0: new docking methods, expanded force field, and Python bindings
It mentioned that Vina will consider intramolecular interaction in this form, whi…
-
### Virtual library cleaning: Removing Boc-, Fmoc-, and tbutyl ester- protecting groups from molecule libraries.
The Python script [deprotect.py](https://github.com/user-attachments/files/1750667…
-
Hi,
I was wondering if I could use AutoDock Vina scoring functions to evaluate protein-peptide complexes.
I used Python-based scripts from the AutoDock Vina website just for scoring the complexes.…
-
Prepare code for Vina to be employed with the GPU instead of the CPU.
-