Hi,
I wanted to perform docking through SwissDock. They ask for target structure in pdb format. But the ligand should be in MOL2 format. Does anyone know how can I get MOL2 format or any converter software for this?
You could use the versatile software openbabel
>babel -ipdb input.pdb -omol2 output.mol2
https://openbabel.org/wiki/Tutorial:Basic_Usage
Regards from Madrid.
https://www.webqc.org/molecularformatsconverter.php
Hi there. Avogadro is free and can help you ;)
https://sourceforge.net/projects/avogadro/files/latest/download
http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html
Further alternatives:
MDAnalysis.Universe('file.pdb').atoms.write('file.mol2')
antechamber -i filename.pdb -fi pdb -o filename.mol2 -fo mol2
http://pasilla.health.unm.edu/tomcat/biocomp/convert
Haaris Ahsan Safdari You can simply use the Open Babel GUI Tool for this job.
Here is the link: https://openbabel.org/docs/current/GUI/GUI.html
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