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; ; FILE: spider/docs/techs/recon/newprogs/pub_recon.pam ; New ArDean Leith Dec 2009 ; 'FSC', 'BP RP 3' in recon.spi ArDean Leith Aug 2012 ; ; PURPOSE: Runs on master node to control reconstrtuction ; ; INPUT ; [params] ../params ; Reconstruction parameter file ; [sel_grp] sel_group_cclim ; Defocus group selection file ; [sel_part] sel_particles_{***[grp]} ; Particle selection files (one / defocus group) ; [ali] ../Alignment/dala01_{***[grp]}@** ; Aligned particle images (one stack / defocus group) ; [angles] ../Alignment/align_01_{***[grp]} ; Alignment parameter doc files (one / defocus group) ; ; OUTPUT: ; [vol_sub1] = 'vol01_sub1' ; Volume created from subset 1 particles (one) ; [vol_sub2] = 'vol01_sub2' ; Volume created from subset 2 particles (one) ; [grpvol_1] = 'df{***[grp]}/[vol_sub1]' ; Volumes for subset 1 particles (one per group) ; [grpvol_2] = 'df{***[grp]}/[vol_sub2]' ; Volumes for subset 2 particles (one per group) ; [grpfsc] = 'df{***[grp]}/fscdoc' ; FSC curve doc files (one per group) ; [ctf] = 'df***/ctffile' ; CTF correction files (one per group) ; [vol] = 'vol01' ; CTF-corrected overall volume (one) ; [combfsc] = 'combires' ; FSC curve doc file for overall volume (one) ; [resfile] = 'resolution' ; Resolution doc file for all volumes (one) ; ; PROCEDURES CALLED: ; recon recon.spi ; publish publish ; ; -------------------- Input files (From recon.spi) --------------------------- [sel_grp] = 'sel_group_cclim' ; Defocus group selection file ; -------------------- Output files (From recon.spi) --------------------------- [ctf] = 'df{***[grp]}/ctffile' ; CTF correction files (completion flag) [combfsc] = 'combires' ; FSC doc file with FSC curve for overall volume [res_file] = 'resolution' ; Resolution doc file for all volumes ; -------------- END BATCH HEADER ------------------------------------------- MD TR OFF ; Loop info turned off MD VB OFF ; File info turned off MD SET MP ; Use single OMP processor 1 DE ; Delete existing file [combfsc] ; FSC doc file file used as completion flag ; Make header for resolution doc file SD / GROUP, NORM FREQ, RESOLUTION (ANG.) (CUTOFF=50%) [res_file] ; Resolution doc file (output) SD E [res_file] ; Resolution doc file (output) DO ; --------------------------- Loop starts group back projections -------------- UD NEXT [key],[grp],[p],[def]; Get group from group sel. file [sel_grp] ; Group selection file (input) IF ([key] .LE. 0) EXIT ; End of groups in selection file DE ; Delete existing file [ctf] ; CTF correction file used as completion flag VM ; Process all defocus groups in parallel publish './spider spi/$DATEXT @recon {***[grp]} grp={***[grp]}' ENDDO UD NEXT END ; Reset group sel. file [sel_grp] ; Group selection file (ends) VM ; Echo start time date '+ TIME: %x %X' DO ; --------------------------- Loop waits for group back projections ------------ UD NEXT [key],[grp] ; Get group from group sel. file [sel_grp] ; Group selection file (input) IF ([key] .LE. 0) EXIT ; End of groups in selection file VM echo " Waiting for group: {**[grp]}" MY FL ; Flush results file ; Wait for all subscribers to finish back projections IQ SYNC ; Wait for CTF file creation [ctf] ; CTF finished flag file (input) 10 3600000 VM echo " Finished group: {**[grp]}" ; date '+ TIME: %x %X' ENDDO ; --------------------------------- Start volume combination & resolution calc. ----- VM ; Combine group volumes and find resolution publish './spider spi/$DATEXT @recon 0 grp=-99' IQ SYNC ; Wait for FSC file creation signal [combfsc] ; Doc file (input) 10 3600000 VM date '+ TIME: %x %X'; echo " RECONSTRUCTION FINISHED" EN ;