Compound conversion: - interconvert between various chemistry and molecular modeling data files
toolshed.g2.bx.psu.edu/repos/bgruening/openbabel_compound_convert/openbabel_compound_convert/3.1.1+galaxy0
Metadata
Links
EDAM Operations
EDAM Topics
Observed Tool Versions
Within GTN tutorials
3.1.1+galaxy0
Relevant Tutorials
- Computational chemistry / Protein-ligand docking
- Computational chemistry / Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
- Computational chemistry / High Throughput Molecular Dynamics and Analysis
- Computational chemistry / Data management in Medicinal Chemistry
- FAIR Data, Workflows, and Research / Data management in Medicinal Chemistry
- Metabolomics / Predicting EI+ mass spectra with QCxMS