Chemical File Format Converter
The following is the Web Application built using Python, Open Babel, Py3Dmol and Streamlit that allows inter-conversion between various chemical file formats in current use.
Web App
You can also open this link to go full screen.
Currently, the web app supports converting to and from the following chemical file formats:
Input
- xyz
- tmol – Turbomole coord format
- sdf
- cif
- poscar
- cube
- fhiaims
- mcif
- mdl
- mol
- mol2
- outmol
- pwscf
- smi
- pdb
- smiles
Output
- xyz
- tmol – Turbomole coord format
- sdf
- cif
- cube
- fhiaims
- mcif
- mdl
- mol
- mol2
- outmol
- smi
- pdb
- smiles
Ph.D. researcher at Friedrich-Schiller University Jena, Germany. I’m a physicist specializing in computational material science. I write efficient codes for simulating light-matter interactions at atomic scales. I like to develop Physics, DFT, and Machine Learning related apps and software from time to time. Can code in most of the popular languages. I like to share my knowledge in Physics and applications using this Blog and a YouTube channel.