HOMA, PDBStat, CreateProc (3 of 4)

• HOMA / PDBStat

  • PDBStat has been modified to give automatically all files with only one command.
  • Future: PDBStat can handle 4 and 6-column format for the alignment, i.e. Ready for dimers or n-mers.
  • Different cut-offs are calculated from molecule (template) data on the flight
  • Homologous constraints in all formats (X-PLOR, CNS, DYANA, CYANA, CONGEN
  • Inclusion of X-PLOR, DYANA and hybrid protocols (Zeba)
  • X-PLOR protocol uses sa_after_SA.inp template discussed before
  • Modularized to make it easily portable/modifiable (Zeba)
  • Moved away from ibiza to falcon, on May 27 moved again away from falcon to master (plan is to move it to spins).
  • New tool CreateProc for making it flexible and automatic

Notes: