Dear all... I need toknow the phasing power value for my solved structure. Where can i find it out in the output files of autosol and autobuild? I am using phenix1.14.4b and also i need to know the weighted mean phase errors vs resolution. Thanking you.
Hi Vennila,
Please download and use the latest version. The 1.14.4b version is
extremely outdated. We are now past version 1.5.0 already.
Cheers
Peter
2009/11/18 vennila Natesan
Dear all...
I need toknow the phasing power value for my solved structure. Where can i find it out in the output files of autosol and autobuild? I am using phenix1.14.4b and also i need to know the weighted mean phase errors vs resolution.
Thanking you. _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
-- ----------------------------------------------------------------- P.H. Zwart Beamline Scientist Berkeley Center for Structural Biology Lawrence Berkeley National Laboratories 1 Cyclotron Road, Berkeley, CA-94703, USA Cell: 510 289 9246 BCSB: http://bcsb.als.lbl.gov PHENIX: http://www.phenix-online.org CCTBX: http://cctbx.sf.net -----------------------------------------------------------------
Hi Vennila, If you are running MAD or MIR, then these values can be found in your "solve_xx.prt" where xx is the solution number: For MAD: RMS ANOMALOUS FH/E [f" PART OF FH / RMS ANO ERROR]: LAMBDA: 1 0.5 0.9 1.0 0.7 0.6 0.5 0.3 0.2 0.1 LAMBDA: 2 0.3 0.6 0.7 0.5 0.3 0.3 0.2 0.1 0.1 LAMBDA: 3 0.7 1.1 1.1 0.8 0.7 0.6 0.5 0.4 0.3 RMS DISPERSIVE FH/E [Delta-f-prime PART OF FH / RMS DISPERSIVE ERROR]: L1 VS L2: 1.0 1.5 1.6 1.1 1.1 0.9 0.6 0.4 0.3 L1 VS L3: 0.9 1.3 1.5 1.1 1.0 0.8 0.5 0.4 0.3 L2 VS L3: 0.2 0.4 0.4 0.3 0.2 0.2 0.1 0.1 0.0 or for MIR: CENTRIC REFLNS: 524. 63. 61. 66. 71. 71. 70. 67. 55. RMS HA F: 83.9 119.2 126.2 90.3 74.1 65.9 58.7 58.2 45.5 RMS RESIDUAL: 43.4 58.2 37.6 45.3 41.6 41.8 44.3 36.1 37.8 RMS(FH)/RMS(E): 1.93 2.05 3.36 1.99 1.78 1.58 1.32 1.61 1.20 CENTRIC R FACT: 0.43 0.35 0.27 0.47 0.51 0.50 0.56 0.49 0.57 ACENTRIC REFLN: 5915. 236. 477. 617. 753. 864. 956. 1012. 1000. RMS DERIV FPH: 504.0 612.5 452.3 610.3 629.2 561.4 479.8 411.7 352.7 RMS SIGMA FPH: 12.1 5.8 6.6 10.5 8.9 10.5 12.0 14.2 16.6 RMS SIGMA FP: 12.3 6.0 7.4 8.4 9.6 10.6 12.5 14.6 17.0 RMS HA F: 74.1 132.7 109.3 94.3 80.1 70.2 58.9 51.2 45.3 RMS RESIDUAL: 31.6 28.7 30.7 27.4 28.9 29.9 33.2 31.2 37.0 RMS(FH)/RMS(E): 2.34 4.63 3.55 3.44 2.77 2.35 1.77 1.64 1.22 If you are running SAD data then phaser_xx.log currently does not list a phasing power, only figures of merit and log-likelihood gain. In AutoBuild there is no phasing power calculation done. All the best Tom T On Nov 18, 2009, at 10:15 PM, vennila Natesan wrote:
Dear all...
I need toknow the phasing power value for my solved structure. Where can i find it out in the output files of autosol and autobuild? I am using phenix1.14.4b and also i need to know the weighted mean phase errors vs resolution.
Thanking you. _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] Fax: 505-665-3024 SOLVE web site: http://solve.lanl.gov PHENIX web site: http:www.phenix-online.org ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss
participants (3)
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Peter Zwart -
Tom Terwilliger -
vennila Natesan