UBDB

LSDB is a program for automatic assignment of local coordinate systems and UBDB transfer. UBDB is a databank of pseudoatom types.

Download

For any questions please contact Paulina Dominiak (pdomin@chem.uw.edu.pl)

Instruction

  1. Run LSDB in command prompt with -h option to create example lsdb.inp input file
  2. Modify this file (keywords are self-explanatory)
  3. Run LSDB without any options

People involved in the project: K. N. Jarzembska, P. M. Dominiak, M. Messerschmidt, A. Volkov