On Fri, 13 Jul 2007, john kryst wrote: > Hi all !!! > > Is it possible to fix one domain and search for the second one in > phaser !!! What are the keywords to use. > I have a protein with two domains. It i give both the domains together or as > two ensembles it is not finding the solution. If i give only one domain it > is giving the solution (R and Rfee is 28 and 33). But it is not finding the > second one. > > Thanks in advance for your suggestions.. > > regards > John
Yes it is possible to do what you are trying to do within Phaser. I am using scripts. What you need to do is to introduce within the Phaser script a solution card, e.g. SOLU 6DIM ENSE TET1 EULER 327.076 56.322 181. FRAC 0.12840 -0. 0.27387 The phaser script will look like: #!/bin/csh -f cd /homei/vellieux/mpb11a/phaser_trimer time /home/prog/phaser/bin/phaser > phaser.out << EOI MODE MR_AUTO HKLIN rescut.mtz LABIN F = FP SIGF = SIGFP PACK 6 ENSEMBLE TET1 PDBFILE trimer.pdb IDENTITY 0.221 COMPOSITION PROTEIN MW 168960 NUM 2 SEARCH ENSEMBLE TET1 NUM 1 ROOT phaser_trimer SOLU 6DIM ENSE TET1 EULER 327.076 56.322 181. FRAC 0.12840 -0. 0.27387 EOI Fred. -- Fred. Vellieux, esq. ================================= IBS J.-P. Ebel CEA CNRS UJF / LBM 41 rue Jules Horowitz 38027 Grenoble Cedex 01 France Tel: (+33) (0) 438789605 Fax: (+33) (0) 438785494 =================================
