"babel -ixyz ethanol.xyz -opdb ethanol.pdb" "babel -ismi -omol2" "babel infile.mol new.smi -m" AUTHORS http://openbabel.org/wiki/THANKS COPYRIGHT This program is free software;you can redistribute it and/or modify it under the terms of the GNU General Public License as published by...
obabel ethanol.xyz -Oethanol.pdb Conversion from a SMI file in STDIN to a Mol2 file written to STDOUT: obabel -ismi -omol2 Split a multi-molecule file into new1.smi, new2.smi, etc.: obabel infile.mol -Onew.smi-m Authors
docker bioinformatics pdb protein-structure singularity python-bindings scientific-computing openbabel plip Updated Aug 16, 2024 Python dulaanr97 / dok2any Star 1 Code Issues Pull requests Dok2any is a small Python package designed to convert dok files generated by LeDock molecular docking softwa...
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021),https://doi.org/10.1093/nar/gkab294 dockerbioinformaticspdbprotein-structuresingularitypython-bindingsscientific-computingopenbabelplip ...