Multiple ligands as an input

[rohityadav901]

Hi @rasbt
Hope you are doing fine, i was just eager to know, if we can use multiple ligands as input against the single protein in the model.
If not then is there any possibility that you could add it ?

Regards,
Rohit

[rasbt]

Hi Rohit,

it would depend on the Mol2 file format that is used for ligands. I don't think Mol2 supports more than 1 ligand in the same frame.

[shefin121]

Hi @rasbt
I found the Hbind tool interesting and wish to use the tool Hbind. I have used it in 2018. And now I installed the package and im getting the message
"WARNING: unable to open file (null); Bad address (open_mol2)
Segmentation fault (core dumped)"
I tried it with the example files provided.
The command which i tried is shown below.
shefin@DESKTOP-S8S4EEL:/mnt/f/Hbind-master/Hbind-master$ ./bin/hbind -p ./example_files/1KPF.pdb \ -l ./example_files/1KPF_AMP.mol2

HBIND Version: 1.0.0

Documentation: http://psa-lab.github.io/Hbind
Raschka, Wolf, Bemister-Buffington, Kuhn (2018)
Protein Structure and Analysis Lab, MSU (http://kuhnlab.bmb.msu.edu)
Please help. It is for my Ph. D work.

Thank you
Shefin