Dear Tommi, a) WHAT IS GAMMA??
Gamma is a factor used in the Refmac minimization procedure. In most cases Refmac achieves convergence with gamma = 0.0. In case the program fails to reach convergence with gamma = 0.0, gamma is increased stepwise. This generally facilitates convergence. Regards, Roberto
dear all (well experts i suppose), can someone explain what this means (REFMAC): Resolution limits = 19.944 2.600 Number of used reflections = 12652 Percentage observed = 100.0000 Percentage of free reflections = .0000 Overall R factor = .3922 Overall weighted R factor = .3737 Overall correlation coefficient = .8399 Cruickshanks DPI for coordinate error= 3.4923 Overall figure of merit = .6952 ML based su of positional parameters = .6421 ML based su of thermal parameters = 29.9144 ----------------------------------------------------------------------------- Trying gamma equal 0.0000000000E+00 Not converging with gamma equal 0.0000000000E+00 Trying gamma equal 0.5500000343E-01 Not converging with gamma equal 0.5500000343E-01 Trying gamma equal 0.1155000031 Not converging with gamma equal 0.1155000031 Trying gamma equal 0.1820500046 Not converging with gamma equal 0.1820500046 Trying gamma equal 0.2552550137 Not converging with gamma equal 0.2552550137 Trying gamma equal 0.3357805014 Not converging with gamma equal 0.3357805014 Trying gamma equal 0.4243585467 Not converging with gamma equal 0.4243585467 Trying gamma equal 0.5217944384 Not converging with gamma equal 0.5217944384 Trying gamma equal 0.6289739013 Gamma decreased to 0.6075379848 I am runing this on a mac --two different mac platroms, powerpc does this and goes on intel mac pro (or whatever it was) gamma shoots up and the program gets stuck in a loop... so, a) WHAT IS GAMMA?? b) why the difference between the machines??, is this a bug, or diagnostic of some problem...? (with my refiment.. which isnt really working...) related to that, any opinions whether it is a good idea to include HL restraints in arp/warp buidling/refinment at 2.6Å and poor starting phases.. (starting from exp. phases, i recall Tassos suggested this but for which case??? i am running vs 7) (i still have the partial model but little success to go beyond it by any means....tweaking parameters in arpwarp now.... suggestions??) many thanks..., tommi -- Tommi Kajander, Ph.D. Macromolecular X-ray Crystallography Research Program in Structural Biology and Biophysics Institute of Biotechnology PO box 65 (Street address: Viikinkaari 1, 4th floor) University of Helsinki FIN-00014 Helsinki, Finland Tel. +358-9-191 58903 Fax +358-9-191 59940
-- Dr. Roberto Steiner Randall Division of Cell and Molecular Biophysics New Hunt's House King's College London Guy's Campus London, SE1 1UL Phone +44 (0)20-7848-8216 Fax +44 (0)20-7848-6435 e-mail [EMAIL PROTECTED]
