Dear all
New version is automatic molecular replacement system - BALBES is now
available.
In this version there are many new algorithms. These include:
1) Ensembles (pseudo-NMR models) are created automatically and used
for molecular replacement. Ensembles are created for each domain using
local domain database. For this class of domains are used.
2) Dealing with assemblies (protein-protein complexes) have
substantially been improved. If there are more than one sequence is
provided then the system first tries to find solution using assemblies
from the database. If there are no ansemble or the system fails to
solve the structure using them then it switches to siingle molecule
model and does MR for each protein. Then it combines them to build
final (hopefully) biologically reasonable solution.
3) Dealing with multidomain proteins have been substantially improved.
Now the system will do extensive molecular replacement for each domain
and combine them together
4) If the space group is uncertain within point group then the program
will try each potential space group and will (if necessary) reindex
and give the results in "standard" space group.
There is also new quality factor that should indicate quality of the
derived model.
The system is available on the server:
www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
or it can be downloaded (expect long download time):
http://www.ysbl.york.ac.uk/~fei/balbes/index.html
If you have any questions or suggestions please do not hesitate to
contact with one of us. Your suggestions, complains and questions were
instrumental in developing this system.
Fei Long - [email protected]
Alexei Vagin - [email protected]
Garib Murshudov - [email protected]
regards
Garib
