ptrab/useful-scripts
Extracting stored Geometries from backup_{population,blacklist}.dat, which are generated by Adriana Supady's "Flexible algorithm for optimization of molecules", fafoom, to a sdf file.
PythonGPL-2.0
Extracting stored Geometries from backup_{population,blacklist}.dat, which are generated by Adriana Supady's "Flexible algorithm for optimization of molecules", fafoom, to a sdf file.
PythonGPL-2.0