Compound conversion: - interconvert between various chemistry and molecular modeling data files

Metadata

Servers Offering this Tool

UseGalaxy.eu (3.1.1+galaxy0)

This is a guess, we are not currently checking if that is actually present.

Observed Tool Versions

Within GTN tutorials

• 3.1.1+galaxy0
• 2.4.2.2.0

EDAM Operations

• operation_0224
• operation_3431
• operation_2409

EDAM Topics

• topic_2258
• topic_2275
• topic_3314
• topic_3292

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