A chemical file format conversion tool that supports common formats such as.xyz,.gjf/.com,.mol,.sdf,.pdb,.mol2,.smi,.cml,.mop and others. Files can be uplo…
A chemical file format conversion tool that supports common formats such as.xyz,.gjf/.com,.mol,.sdf,.pdb,.mol2,.smi,.cml,.mop and others. Files can be uploaded via a dialog for immediate conversion or processed in bulk from the command line. Key features include automatic input-format detection; high-fidelity retention of coordinates and configuration using RDKit or Open Babel; generation of Gaussian input files with options to specify method, basis set, charge, multiplicity and Link0 directives; batch output directory management; and error reporting. Suitable for computational chemistry, molecular modeling, data curation and pipeline processing scenarios, it provides reliable format compatibility, reproducibility, and automation integration for research and engineering workflows.
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