LSDB is a program for automatic assignment of local coordinate systems and UBDB transfer. UBDB is a databank of pseudoatom types.
For any questions please contact Paulina Dominiak (pdomin@chem.uw.edu.pl)
Instruction
- Run LSDB in command prompt with -h option to create example lsdb.inp input file
- Modify this file (keywords are self-explanatory)
- Run LSDB without any options
People involved in the project: K. N. Jarzembska, P. M. Dominiak, M. Messerschmidt, A. Volkov