Dear all
New version of refmac (stable version 5.4) is now available.
Apart from bug fixes and stabilization it has some features include:
refmac:
(see for description of some of the keywords in this version: http://
www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html)
1) f' can be given as keyword. If the wavelength is available in the
then it is calculated using crossec. You can also define wavelength
using keywords
2) sharpening options for map calculations
3) segment id can be used
4) external restraints for distances can be given using keywords
5) Harmonic restraints can be defined
6) Some elements of omit map. Residue range can be excluded from
refinement (they will be used for mask calculation)
7) Default for rigid body is chains (or segments if pdb file has them)
8) Default tls groups are chains
libcheck:
1) smile, sdf, mol2 and cif files from ebi (www.ebi.ac.uk/msd-srv/
msdchem/cgi-bin/cgi.pl) files can be used as an input files for
dictionary generation
You can find this version, new experimental version of refmac with
sad function from the site:
http://www.ysbl.york.ac.uk/YSBLPrograms/index.jsp
Please let me know if you have any problem.
happy new year
Garib
